SCHEMBL17738720

SCHEMBL17738720

N=Cc1c(N)cc(Cl)cc1C(Cc1ccccc1)ON

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.40
▸ TDO2 P48775 4/20 0.40
▸ SRR Q9GZT4 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SCN4A P35499 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ EPHX1 P07099 1/20 0.30
▸ TACR1 P25103 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
SCHEMBL17738774 0.79 KMT2A (0.33) KMT2A
SCHEMBL17738772 0.77 — —
SCHEMBL17738700 0.77 IDO1 (0.51) IDO1TDO2
SCHEMBL17739390 0.67 LMNA (0.39) CYP1A2CYP3A4
SCHEMBL17739108 0.65 GABRA1 (0.37) CYP3A4
SCHEMBL17738987 0.65 IDO1 (0.39) IDO1
SCHEMBL17738705 0.64 MC4R (0.32) —
SCHEMBL1520793 0.63 IDO1 (0.50) IDO1TDO2SRREPHX1
SCHEMBL17739048 0.63 CA1 (0.50) CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL18534818 0.61 CYP3A4 (0.39) CYP3A4KMT2A

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-2016071293-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2016-05-12 — — WO disclosed
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