SCHEMBL31052765

SCHEMBL31052765

COc1cc(Oc2ccc(NC(C)=O)cc2C)cc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 9/20 0.42
▸ DDR2 Q16832 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ AR P10275 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ ENPP1 P22413 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL26892701 1.00 EGLN2 (0.42) EGLN2DDR2PGRARTP53
SCHEMBL26697649 0.86 ALDH1A1 (0.43) EGLN2ALDH1A1LMNAMEN1CYP1A2
SCHEMBL26697782 0.80 EGLN2 (0.36) EGLN2ALDH1A1ENPP1LMNAMAPT
SCHEMBL29309624 0.80 ERBB2 (0.49) —
SCHEMBL26697667 0.78 CHRM4 (0.39) ENPP1LMNA
SCHEMBL5952099 0.71 ALDH1A1 (0.62) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL29936085 0.68 EGLN2 (0.38) EGLN2ALDH1A1LMNAMEN1MAPT
SCHEMBL26697752 0.68 EGLN2 (0.38) EGLN2ALDH1A1LMNAMEN1MAPT
SCHEMBL26697663 0.67 STK39 (0.45) PGRARALDH1A1MEN1KMT2A
SCHEMBL27093496 0.66 KDM4E (0.36) EGLN2ALDH1A1LMNAMEN1CYP1A2

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-118459485-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-08-09 — — CN disclosed
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