SCHEMBL9489489

SCHEMBL9489489

COc1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)ccc1C(C)c1c[nH]c2ccc(CCNC(=O)N3CCOCC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SNCA P37840 1/20 0.37

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
SCHEMBL9490452 0.93 KMT2A (0.41) KMT2ARAB9A
SCHEMBL9488371 0.86 GAA (0.43) KMT2AGAAMGAMSIMGAM2
SCHEMBL9490939 0.84 KMT2A (0.40) KMT2ARAB9A
SCHEMBL9489892 0.84 KMT2A (0.45) KMT2AALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9488909 0.84 KMT2A (0.45) KMT2AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9528078 0.80 CYSLTR2 (0.41) GAAMGAMSIMGAM2
SCHEMBL9488829 0.79 MEN1 (0.40) KMT2A
SCHEMBL9489487 0.79 CYSLTR2 (0.60)
SCHEMBL9489374 0.78 MGAM (0.43) GAAMGAMSIMGAM2
SCHEMBL9490929 0.76 KMT2A (0.43) TDP1KMT2AGAAALDH1A1KDM4E

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
EP-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed