SCHEMBL8893294

SCHEMBL8893294

Cc1nc(C#N)c(SCCCc2ccccc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 6/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
QPCT Q16769 1/20 0.37
GAA P10253 3/20 0.37
GPR84 Q9NQS5 1/20 0.36
ALPL P05186 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL8891215 0.93 MAOA (0.44) ALDH1A1RAB9ASMN1; SMN2TSHRNPC1
SCHEMBL2961948 0.67 CES1 (0.43) ARALDH1A1MAOBMAOAGAA
SCHEMBL8890049 0.66 GAA (0.41) ALDH1A1RAB9ASMN1; SMN2TSHRNPC1
SCHEMBL3826613 0.66 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2TSHRNPC1
SCHEMBL26616385 0.64 LMNA (0.48) ALDH1A1RAB9ASMN1; SMN2TSHRNPC1
SCHEMBL26616558 0.64 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2TSHRNPC1
SCHEMBL9751807 0.63 NOS1 (0.47) MAOBMAOA
SCHEMBL28965088 0.62 MCHR1 (0.58) ARSMN1; SMN2MAOBMAOAGSTP1
SCHEMBL1932895 0.62 CYP1A2 (0.62) ARALDH1A1RAB9AMAOBMAOA
SCHEMBL8891161 0.62 HTT (0.46) ALDH1A1RAB9ASMN1; SMN2TSHRNPC1

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
WO-1997024340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed