SCHEMBL25590495

SCHEMBL25590495

Cc1ccc(NC(=O)c2nc(-c3ccc4nc[nH]c4c3)ccc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ QPCT Q16769 2/20 0.53
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 4/20 0.50
▸ P2RY14 Q15391 1/20 0.49
▸ POLB P06746 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.46
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL25591687 0.89 MAPT (0.62) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL25590486 0.88 RAB9A (0.53) RAB9ANPC1SMN1; SMN2QPCTKMT2A
SCHEMBL25593240 0.80 FLT3 (0.49) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL25590490 0.78 ATR (0.58) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL25590489 0.77 ATR (0.45) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL25590677 0.77 ATR (0.40) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL12082836 0.75 RAB9A (0.73) RAB9ANPC1SMN1; SMN2QPCTKMT2A
SCHEMBL30050799 0.75 QPCT (0.75) RAB9ANPC1SMN1; SMN2QPCTKMT2A
SCHEMBL25593788 0.74 ATR (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL25590474 0.74 ATR (0.51) RAB9ANPC1SMN1; SMN2KMT2AMAPT

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-2023088435-A1 PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR 成都奥睿药业有限公司 2023-05-25 — — WO disclosed
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