SCHEMBL7260933

SCHEMBL7260933

CCCCCCc1c(-c2ccccn2)ncc(Br)c1Br

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4385940 0.85 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7264198 0.79 KDM4E (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29815081 0.79 KDM4E (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27396593 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL8720801 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29278701 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL454461 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28515301 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7265500 0.75 KDM4E (0.46) CYP1A2KDM4ENPC1
Dipyridyl SCHEMBL28135789 0.73 KDM4E (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006135-B1 Conjugated N-fluoropyridinium salt-containing polymer and use of the same DAIKIN IND LTD (JP) 2003-02-12 EP disclosed
EP-0787719-B1 CONJUGATED N-FLUOROPYRIDINIUM SALT POLYMER AND USE THEREOF DAIKIN IND LTD (JP) 2001-08-16 EP disclosed
EP-1006135-A1 Conjugated N-fluoropyridinium salt-containing polymer and use of the same DAIKIN INDUSTRIES, LIMITED (JP) 2000-06-07 EP disclosed
US-5736274-A ANODE ACTIVE MATERIAL AND SOLID ELECTROLYTE FOR BATTERIES; HIGH ELECTROMOTIVE FORCE; HIGH ENERGY DENSITY; POLLUTION CONTROL; FLUORINATING AGENTS; LOW INTERNAL RESISTANCE IN CHARGING AND DISCHARGING DAIKIN INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
EP-0787719-A1 CONJUGATED N-FLUOROPYRIDINIUM SALT POLYMER AND USE THEREOF DAIKIN INDUSTRIES, LTD. (JP) 1997-08-06 EP disclosed