SCHEMBL5012950

SCHEMBL5012950

Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
EPHX2 P34913 8/20 0.41
EPHX1 P07099 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5015780 1.00 KMT2A (0.42) KMT2ASMN1; SMN2MEN1EPHX2EPHX1
SCHEMBL5015764 0.91 TRPV1 (0.46) KMT2ASMN1; SMN2MEN1EPHX2EPHX1
SCHEMBL16175718 0.91 TRPM8 (0.42) KMT2ASMN1; SMN2MEN1EPHX2TP53
SCHEMBL5012824 0.91 GAA (0.45) KMT2ASMN1; SMN2MEN1EPHX2GAA
SCHEMBL5012816 0.89 FPR1 (0.40) KMT2AEPHX2TRPM8
SCHEMBL5061182 0.89 KDM4E (0.43) KMT2ASMN1; SMN2MEN1TP53KDM4E
SCHEMBL5012899 0.88 KMT2A (0.46) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL5129802 0.87 TRPM8 (0.52) EPHX2TRPM8
SCHEMBL5124312 0.87 TRPM8 (0.52) EPHX2TRPM8
SCHEMBL5012813 0.86 MAPT (0.42) KMT2ASMN1; SMN2EPHX2GAAMAPT

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-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed