SCHEMBL4940319

SCHEMBL4940319

CC(=O)c1ccc(I)cc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.39
TPMT P51580 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ACHE P22303 1/20 0.34
BRPF1 P55201 1/20 0.34
HSD17B1 P14061 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30748562 0.83 IDO1 (0.49) IDO1TPMTALDH1A1HPGDKDM4E
SCHEMBL7715 0.83 IDO1 (0.49) IDO1TPMTALDH1A1HPGDKDM4E
SCHEMBL21592065 0.82 PTPRC (0.40) SMN1; SMN2TPMTKMT2AALDH1A1CYP3A4
SCHEMBL1748053 0.81 MKNK1 (0.46) IDO1TPMTCA1CA2
SCHEMBL28879905 0.80 TTR (0.39) SMN1; SMN2TPMTKMT2AALDH1A1CYP3A4
SCHEMBL20776932 0.78 IDO1 (0.33) IDO1KMT2A
SCHEMBL3341120 0.78 ALDH1A1 (0.55) SMN1; SMN2KMT2AALDH1A1CYP3A4HPGD
SCHEMBL2351916 0.78 KDM4E (0.49) SMN1; SMN2ALDH1A1HPGDCA1CA2
SCHEMBL22226016 0.78 MAP2K1 (0.42) SMN1; SMN2IDO1KMT2AHPGDTSHR
SCHEMBL96218 0.77 KMT2A (0.51) SMN1; SMN2KMT2AALDH1A1CYP2A6KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7411069-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2008-08-12 US disclosed
US-7384749-B2 Electrodes linked via conductive oligomers to nucleic acids CLINICAL MICRO SENSORS, INC. (US) 2008-06-10 US disclosed
US-7381533-B2 Electrodes linked via oligomers to nucleic acids CLINICAL MICRO SENSORS, INC. (US) 2008-06-03 US disclosed
US-7381525-B1 AC/DC voltage apparatus for detection of nucleic acids CLINICAL MICRO SENSORS, INC. (US) 2008-06-03 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-6479240-B1 Electrodes linked via conductive oligomers to nucleic acids CLINICAL MICRO SENSORS, INC. 2002-11-12 US disclosed
US-6232062-B1 HYBRIDIZATION CLINICAL MICRO SENSORS, INC. 2001-05-15 US disclosed
US-6221583-B1 USE OF NUCLEIC ACIDS CONTAINING ELECTRON TRANSFER MOIETIES TO BE USED AS NUCLEIC ACID PROBES; PROBE NUCLEIC ACID IS COVALENTLY ATTACHED TO AN ELECTRODE VIA A CONDUCTIVE OLIGOMER CLINICAL MICRO SENSORS, INC. 2001-04-24 US disclosed
US-6096273-A SITE-SELECTIVE MODIFICATION OF NUCLEIC ACIDS WITH ELECTRON TRANSFER MOIETIES AND ELECTRODES, FOR GENE PROBES, MEDICAL DIAGNOSIS, TISSUE COMPATIBILITY EVALUATIONS BEFORE TRANSPLANTATION, FORENSICS CLINICAL MICRO SENSORS (US) 2000-08-01 US disclosed
US-6090933-A ATTACHING THE SULFUR OF A CONDUCTIVE OLIGOMER HAVING A FIRST SUBUNIT OF A SULFUR ATOM PROTECTED BY ETHYL PYRIDINE OR TRIMETHYLSILYL ETHYL, TO THE GOLD ELECTRODE; NUCLEIC ACIDS COVALENTLY COUPLED TO ELECTRODES VIA CONDUCTIVE OLIGOMERS CLINICAL MICRO SENSORS, INC. (US) 2000-07-18 US disclosed
US-6063573-A SINGLE-STRANDED PROBE FOR SCREENING TARGET NUCLEOTIDE SEQUENCES CLINICAL MICRO SENSORS, INC. (US) 2000-05-16 US disclosed
EP-0939762-A2 ELECTRODES LINKED VIA CONDUCTIVE OLIGOMERS TO NUCLEIC ACIDS Clinical Micro Sensors (US) 1999-09-08 EP disclosed
WO-1998020162-A2 ELECTRODES LINKED VIA CONDUCTIVE OLIGOMERS TO NUCLEIC ACIDS CLINICAL MICRO SENSORS (US) 1998-05-14 WO disclosed
US-5374628-A Aryl and heteroaryl(phosphinylmethyl)phosphonate squalene synthetase inhibitors and method E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
US-5278153-A Hypocholesterolemic or hypolipemic E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed