SCHEMBL25614073

SCHEMBL25614073

Cc1cc2c(s1)-c1sc(N)cc1CO2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31

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
SCHEMBL20991197 0.88 KDM4E (0.34) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL25748468 0.73 KDM4E (0.33) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL25612791 0.69 NOTUM (0.35) NOS3NOS2NOTUM
SCHEMBL25612750 0.68 — —
SCHEMBL25748018 0.68 — —
SCHEMBL25614074 0.67 NOS3 (0.32) NOS3NOS2
SCHEMBL11965099 0.67 ALDH1A1 (0.60) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL18407871 0.66 NOS3 (0.36) NOS3NOS2
SCHEMBL11965098 0.64 KDM4E (0.65) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25748023 0.64 — —

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-2023100844-A1 COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT EMPLOYING SAME 住友化学株式会社 2023-06-08 — — WO disclosed
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