SCHEMBL4965545

SCHEMBL4965545

CCC(O)(CC)c1csc(NS(=O)(=O)c2ccc(C)c(C)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOD2 Q9HC29 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL4963059 0.87 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL4962685 0.85 MEN1 (0.60) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4965824 0.84 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL4963943 0.84 KDM4E (0.47) ALDH1A1LMNAHTTSMN1; SMN2KDM1A
SCHEMBL4966790 0.83 KDM1A (0.45) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL4964738 0.83 KMT2A (0.50) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4963112 0.83 KMO (0.55) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4973290 0.83 TSHR (0.45) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL4964673 0.82 KDM1A (0.53) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL4963200 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMAPTPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP claimed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO claimed
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP disclosed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed