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Sugi Predict / Compounds / SCHEMBL19782894

SCHEMBL19782894

SCHEMBL19782894

Cc1cc(-c2cc3ccccc3o2)c2ncc(OSC(F)(F)F)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 11/20 0.71
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ TOP2A P11388 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PRMT7 Q9NVM4 1/20 0.33

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
SCHEMBL30187592 0.85 F2RL3 (0.76) F2RL3MAOAMAOBKMT2A
SCHEMBL19783498 0.85 F2RL3 (0.76) F2RL3MAOAMAOBKMT2A
SCHEMBL30187680 0.83 F2RL3 (1.00) F2RL3MAOAMAOBTOP2AMKNK1
SCHEMBL19783233 0.83 F2RL3 (1.00) F2RL3MAOAMAOBTOP2AMKNK1
SCHEMBL30189861 0.83 F2RL3 (0.67) F2RL3TOP2AMKNK1
SCHEMBL19782893 0.83 F2RL3 (0.67) F2RL3TOP2AMKNK1
SCHEMBL30187691 0.83 F2RL3 (0.73) F2RL3MAOAMAOBTOP2APDE4D
SCHEMBL19783803 0.83 F2RL3 (0.73) F2RL3MAOAMAOBTOP2APDE4D
SCHEMBL19783468 0.80 F2RL3 (0.69) F2RL3MAOBPOLBKMT2A
SCHEMBL30189527 0.80 F2RL3 (0.69) F2RL3MAOBPOLBKMT2A

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-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 — — WO disclosed