SCHEMBL31414356

SCHEMBL31414356

Fc1ccc2[nH]ncc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ NOS1 P29475 6/20 0.39
▸ METAP2 P50579 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TRPA1 O75762 3/20 0.39
▸ DYRK1A Q13627 4/20 0.36

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
SCHEMBL460550 1.00 HSP90AA1 (0.40) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL29509974 0.74 NOS1 (0.48) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL1495350 0.74 KDM4E (0.48) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL22941283 0.74 HSP90AA1 (0.40) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL8296672 0.74 RAB9A (0.41) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL503223 0.74 NOS1 (0.48) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL10806951 0.74 NOS1 (0.48) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL21951135 0.74 NOS1 (0.48) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL29626644 0.74 METAP2 (0.44) HSP90AA1IDO1CDK2NOS1METAP2
SCHEMBL10124513 0.74 METAP2 (0.44) HSP90AA1IDO1CDK2NOS1METAP2

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-2025076632-A1 COMPOUNDS AND USES THEREOF FIBROCOR THERAPEUTICS INC. (CA) 2025-04-17 — — WO disclosed
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