SCHEMBL11778331

SCHEMBL11778331

Cc1ccc(C(=S)Nc2ncc[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NISCH Q9Y2I1 1/20 0.42
FFAR2 O15552 1/20 0.38
PTGES O14684 1/20 0.38
ADRA2A P08913 5/20 0.37
ADRA2C P18825 5/20 0.37
HPGDS O60760 1/20 0.36
ADRA1D P25100 4/20 0.36
ADRA1A P35348 4/20 0.36
ADRA1B P35368 4/20 0.36
MAPT P10636 1/20 0.36
ADAM17 P78536 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NR3C1 P04150 1/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL11779942 0.84 FFAR2 (0.50) NPC1RAB9ASMN1; SMN2FFAR2PTGES
SCHEMBL11776031 0.83 ADRA2A (0.44) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL11777321 0.83 LMNA (0.44) HPGDALDH1A1SMN1; SMN2FFAR2PTGES
SCHEMBL11780500 0.83 MEN1 (0.39) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL11779936 0.83 SMN1; SMN2 (0.52) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL11779892 0.83 TRPV1 (0.44) NPC1RAB9ASMN1; SMN2PTGESMAPT
SCHEMBL11780637 0.81 FFAR2 (0.34) NPC1RAB9AALDH1A1FFAR2PTGES
SCHEMBL11783362 0.81 RAB9A (0.55) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL11781061 0.80 FPR2 (0.40) PTGESMAPT
SCHEMBL11780402 0.76 ADRA2A (0.35) RAB9AFFAR2PTGESADRA2AADRA2C

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
US-3979404-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1976-09-07 US disclosed