SCHEMBL9826535

SCHEMBL9826535

Cc1ccc(Sc2ccsc2C(=O)Nc2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.37
RAB9A P51151 8/20 0.37
PKM P14618 1/20 0.37
PPARG P37231 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALPG P10696 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ICAM1 P05362 3/20 0.36
SELE P16581 3/20 0.36
VCAM1 P19320 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL9826553 0.89 KDR (0.46) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL9826140 0.80 ALDH1A1 (0.40) NPC1RAB9APKMPPARGNCOR2
SCHEMBL9826832 0.76 KMT2A (0.42) NPC1RAB9APPARGNCOR2SMN1; SMN2
SCHEMBL9831821 0.70 MAPT (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL9823799 0.70 RAB9A (0.61) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL9830987 0.70 GAA (0.54) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL10934281 0.67 XIAP (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13743913 0.67 RAB9A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL1830518 0.67 CASP3 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL9823165 0.66 TLR7 (0.51) TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed