SCHEMBL18730890

SCHEMBL18730890

C=CCc1nc[nH]c1-c1ccc(-c2ccc(-c3cnc[nH]3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 2/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ HPGDS O60760 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CYP2E1 P05181 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP2C19 P33261 1/20 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
SCHEMBL10859894 0.77 KDM4E (0.55) IDO1POLBCYP3A4MAPT
SCHEMBL18731544 0.73 IDO1 (0.51) ASIC3IDO1POLBSMN1; SMN2CYP3A4
SCHEMBL18730921 0.73 IDO1 (0.51) ASIC3IDO1POLBSMN1; SMN2CYP3A4
SCHEMBL17800997 0.73 IDO1 (0.75) ASIC3IDO1POLBSMN1; SMN2CYP3A4
SCHEMBL18731255 0.69 IDO1 (0.46) ASIC3IDO1POLBSMN1; SMN2CYP3A4
SCHEMBL27880327 0.68 IDO1 (0.67) ASIC3IDO1POLBSMN1; SMN2CYP3A4
SCHEMBL18731394 0.66 IDO1 (0.38) ASIC3IDO1POLBSMN1; SMN2CYP3A4
SCHEMBL27577902 0.66 IDO1 (0.91) ASIC3IDO1POLBSMN1; SMN2CYP3A4
SCHEMBL11211676 0.64 HRH2 (0.32) CYP2C19
SCHEMBL205481 0.63 IDO1 (0.64) ASIC3IDO1POLBSMN1; SMN2CYP3A4

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-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 — — EP disclosed
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