SCHEMBL29831908

SCHEMBL29831908

O=C1c2ccccc2C(=O)N1[C@H]1C[C@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.42
CHRM2 P08172 1/20 0.42
OPRM1 P35372 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 1/20 0.39
RNASEH1 O60930 1/20 0.39
CCR5 P51681 1/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL19662738 1.00 L3MBTL1 (0.45) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL19662741 1.00 L3MBTL1 (0.45) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL16415479 1.00 L3MBTL1 (0.45) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL20883051 0.88 KMT2A (0.39) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL15726196 0.87 TSHR (0.46) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL15726193 0.87 TSHR (0.46) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL2144069 0.84 ALDH1A1 (0.44) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL2144064 0.84 ALDH1A1 (0.44) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL5419125 0.84 ALDH1A1 (0.44) L3MBTL1TSHRKMT2AALDH1A1CHRM2
SCHEMBL5415989 0.84 ALDH1A1 (0.44) L3MBTL1TSHRKMT2AALDH1A1CHRM2

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
CN-109153646-B Pyridine dicarboxamide derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2022-08-02 CN disclosed