SCHEMBL8031103

SCHEMBL8031103

CCC(=O)Nc1cc(C)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
RAF1 P04049 1/20 0.42
DAO P14920 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
NR4A1 P22736 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7289853 0.84 ALDH1A1 (0.49) RAF1DAOALDH1A1RAB9ANPC1
SCHEMBL1694410 0.80 DAO (0.52) RAF1DAORAB9ANPC1KMT2A
SCHEMBL28196751 0.79 RAF1 (0.46) RAF1DAOALDH1A1RAB9ANPC1
SCHEMBL29183917 0.79 CYP1A2 (0.51) RAF1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11471040 0.79 HSD17B10 (0.48) TSHRRAF1DAOSMN1; SMN2ADORA3
SCHEMBL7757560 0.77 DAO (0.44) RAF1DAOPOLBKMT2ATP53
SCHEMBL13787409 0.76 RAF1 (0.43) RAF1DAOALDH1A1SMN1; SMN2KMT2A
SCHEMBL28197504 0.74 POLB (0.49) TSHRALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7279134 0.73 CHRM5 (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL6821316 0.73 HDAC1 (0.35) RAF1DAOALDH1A1SMN1; SMN2POLB

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-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed