SCHEMBL6731313

SCHEMBL6731313

O=c1[nH]c(=O)n(OCc2ccccc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.43
HBB P68871 1/20 0.43
HPGD P15428 1/20 0.40
LCK P06239 1/20 0.40
PRKACA P17612 1/20 0.40
CSNK2A2 P19784 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DYRK1A Q13627 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
DAO P14920 3/20 0.40
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL31285917 0.81 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2ALOX15KDM4E
SCHEMBL10347428 0.81 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2ALOX15KDM4E
SCHEMBL2027130 0.79 LDHA (0.45) ALDH1A1TSHRSMN1; SMN2HPGDPARP1
SCHEMBL6723373 0.78 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2KDM4EHPGD
SCHEMBL31257840 0.77 TNKS2 (0.45) ALDH1A1TSHRSMN1; SMN2ALOX15KDM4E
SCHEMBL5696335 0.77 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2ALOX15KDM4E
SCHEMBL31257908 0.74 SMN1; SMN2 (0.41) ALDH1A1TSHRSMN1; SMN2ALOX15KDM4E
SCHEMBL8431590 0.71 PARP1 (0.44) ALDH1A1KDM4EHPGDLCKPRKACA
SCHEMBL3269756 0.70 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2ALOX15KDM4E
SCHEMBL11011279 0.70 PARP1 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US disclosed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP disclosed