SCHEMBL1253282

SCHEMBL1253282

O=S(=O)(O)CCN1CCN(CCO)CC1.O=S(=O)(O)CCN1CCOCC1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
KEAP1 Q14145 1/20 0.37
HSD17B10 Q99714 2/20 0.36
PAOX Q6QHF9 1/20 0.36
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
GSK3B P49841 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
DUSP3 P51452 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL555454 1.00 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL164218 0.95 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL516054 0.95 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL6200 0.91 KMT2A (0.51) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL18770758 0.91 KMT2A (0.51) KDM4EALDH1A1KMT2AMEN1GLA
Water SCHEMBL108075 0.89 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL5492635 0.89 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1GLA
Hydrochloric Acid SCHEMBL5962066 0.89 GLA (0.52) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL29027430 0.89 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1GLA
Water SCHEMBL659931 0.89 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156709-A1 Electrochemical Assay for the Detection of Enzymes OHMX CORPORATION (US) 2012-06-21 US disclosed
US-20110243849-A1 HEME-BINDING PHOTOACTIVE POLYPEPTIDES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-06 US disclosed
US-7888095-B2 variant terpene cyclases; preferentially produces a sesquiterpene, using farnesyl diphosphate (FPP) as substrate THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 US disclosed
EP-1140089-A1 LIPOSOMIC NIFLUMIC ACID - NEW TRANSDERMAL ANTI-INFLAMMATORY MEDICINE P.N. GEROLYMATOS S.A. (GR) 2001-10-10 EP disclosed
WO-2000038681-A1 LIPOSOMIC NIFLUMIC ACID - NEW TRANSDERMAL ANTI-INFLAMMATORY MEDICINE P.N. GEROLYMATOS S.A. (GR) 2000-07-06 WO disclosed