SCHEMBL20924316

SCHEMBL20924316

Cc1cc(NCCO)ncc1-c1nc2ccncc2n1-c1ccc(Cl)cc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 16/20 0.54
▸ CYP1A2 P05177 3/20 0.40
▸ TGFBR1 P36897 3/20 0.40
▸ ACVR1B P36896 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ MAP3K2 Q9Y2U5 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL18976977 0.91 AOC3 (0.54) AOC3KCNH2
SCHEMBL20924441 0.86 AOC3 (0.57) AOC3CYP1A2TGFBR1KCNH2
SCHEMBL18976723 0.85 AOC3 (0.68) AOC3KCNH2
SCHEMBL20924378 0.82 AOC3 (0.75) AOC3KCNH2
SCHEMBL18976721 0.82 AOC3 (0.66) AOC3KCNH2
SCHEMBL18976983 0.81 AOC3 (0.61) AOC3KCNH2
SCHEMBL20924505 0.80 AOC3 (0.64) AOC3KCNH2
SCHEMBL20924435 0.77 KCNH2 (0.60) AOC3KCNH2
SCHEMBL16053333 0.76 AOC3 (0.75) AOC3KCNH2
SCHEMBL20924446 0.74 AOC3 (0.59) AOC3KCNH2

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
EP-2970260-B1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-04-24 — — EP disclosed
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