SCHEMBL4518635

SCHEMBL4518635

O=C(CI)Nc1ccc(C(=O)O[N+]2(S(=O)(=O)O)C(=O)CCC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 4/20 0.37
GRK2 P25098 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL14273489 0.70 MEN1 (0.45) HPGDALDH1A1KMT2AMEN1LMNA
SCHEMBL109045 0.70 ALDH1A1 (0.54) HPGDALDH1A1KMT2AMEN1LMNA
SCHEMBL28839492 0.70 KMT2A (0.54) HPGDALDH1A1KMT2AMEN1MAPK1
SCHEMBL21765862 0.68 MEN1 (0.54) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL5929414 0.68 ALDH1A1 (0.46) HPGDALDH1A1KMT2AMEN1POLB
SCHEMBL6691604 0.67 TSHR (0.72) ALDH1A1KMT2AMEN1MAPK1POLB
SCHEMBL2179698 0.67 ALDH1A1 (0.40) HPGDALDH1A1KMT2AMEN1MAPK1
SCHEMBL21504417 0.67 HPGD (0.40) HPGDALDH1A1KMT2AMEN1MAPK1
SCHEMBL7036230 0.66 PRMT1 (0.51) KMT2AMEN1MAPTCA9CA12
SCHEMBL22203030 0.66 MEN1 (0.46) HPGDALDH1A1KMT2AMEN1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090305264-A1 COOPERATIVE PROBES AND METHODS OF USING THEM FLUIDIGM CORPORATION 2009-12-10 US disclosed
EP-2004861-A2 COOPERATIVE PROBES AND METHODS OF USING THEM Arcxis Biotechnologies, Inc. (US) 2008-12-24 EP disclosed
WO-2007114986-A2 COOPERATIVE PROBES AND METHODS OF USING THEM ARCXIS BIOTECHNOLOGIES, INC. (US) 2007-10-11 WO disclosed
EP-0779934-B1 COMPOSITIONS AND METHODS FOR USE IN DETECTION OF ANALYTES BECKMAN COULTER INC (US) 2000-04-05 EP disclosed
US-5648213-A IMMUNOASSAY BECKMAN INSTRUMENTS, INC. (US) 1997-07-15 US disclosed
EP-0779934-A1 COMPOSITIONS AND METHODS FOR USE IN DETECTION OF ANALYTES BECKMAN INSTRUMENTS, INC. (US) 1997-06-25 EP disclosed
WO-1996006948-A1 COMPOSITIONS AND METHODS FOR USE IN DETECTION OF ANALYTES BECKMAN INSTRUMENTS, INC. (US) 1996-03-07 WO disclosed