SCHEMBL8720801

SCHEMBL8720801

CCCCCCCc1ccnc(-c2ccccn2)c1CCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LIPG Q9Y5X9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL29278701 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL454461 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28515301 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27396593 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3641432 0.94 CYP1A2 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28163760 0.89 CYP1A2 (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16741937 0.87 CYP1A2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30835110 0.85 CYP1A2 (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29883487 0.85 KDM4E (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4475658 0.84 LIPG (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083668-B1 ELECTROLYTIC DISPLAY DEVICE EMPLOYING METAL ION CATALYSIS International Business Machines Corporation (US) 1986-08-20 EP claimed
CN-110117281-A Organic compound and electric driven color-changing part 佳能株式会社 2019-08-13 CN disclosed
CN-107850814-A Electric driven color-changing part, optical light filter, lens unit, imaging device and window member 佳能株式会社 2018-03-27 CN disclosed
EP-0861272-A1 IMPROVED PROCESSES BASED ON ATOM (OR GROUP) TRANSFER RADICAL POLYMERIZATION AND NOVEL (CO)POLYMERS HAVING USEFUL STRUCTURES AND PROPERTIES CARNEGIE MELLON UNIVERSITY (US) 1998-09-02 EP disclosed