SCHEMBL5248341

SCHEMBL5248341

CC(=O)C(C)(C)CNc1ccc2sc(C)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.55
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LDHA P00338 2/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3320865 0.82 TRPV1 (0.57) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL18235941 0.80 KMT2A (0.54) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4011536 0.76 LDHA (0.78) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL12510067 0.76 KMT2A (0.59) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5798843 0.75 RAB9A (0.65) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL12233592 0.73 KMT2A (0.59) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL18415605 0.73 PTPN1 (0.55) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL14554346 0.73 TRPV1 (0.62) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL3319497 0.72 RAB9A (0.47) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL15228759 0.72 RAB9A (0.62) TRPV1RAB9ANPC1CASP3SENP7

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-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 WO disclosed