SCHEMBL30877424

SCHEMBL30877424

O=Cc1cc(F)cc2c1NCCO2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FABP6 P51161 1/20 0.42
▸ ERN1 O75460 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MAPT P10636 1/20 0.33
▸ AR P10275 1/20 0.30

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
SCHEMBL29285183 1.00 FABP6 (0.42) FABP6ERN1ALDH1A1GAAHSD17B10
SCHEMBL31513053 0.77 ALDH1A1 (0.41) ERN1ALDH1A1GAAHSD17B10KDM4E
SCHEMBL30954167 0.75 FABP6 (0.41) FABP6ALDH1A1GAAHSD17B10MAPT
SCHEMBL23832869 0.75 FABP6 (0.41) FABP6ALDH1A1GAAHSD17B10MAPT
SCHEMBL23532996 0.75 KDM4E (0.38) FABP6ERN1ALDH1A1GAAHSD17B10
SCHEMBL23846769 0.72 FABP6 (0.40) FABP6ALDH1A1GAAHSD17B10MAPT
SCHEMBL30056728 0.72 FABP6 (0.40) FABP6ALDH1A1GAAHSD17B10MAPT
SCHEMBL15332907 0.72 ALDH1A1 (0.33) FABP6ALDH1A1GAAHSD17B10KDM4E
SCHEMBL29285169 0.72 ERN1 (0.37) ERN1ALDH1A1GAAHSD17B10KDM4E
SCHEMBL29285141 0.71 ERN1 (0.39) ERN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 — — CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 — — CN disclosed
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