SCHEMBL2014183

SCHEMBL2014183

N#Cc1cccnc1.N#Cc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.61
CYP19A1 P11511 2/20 0.55
CYP2A6 P11509 6/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2B6 P20813 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2E1 P05181 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C8 P10632 1/20 0.48
TSHR P16473 1/20 0.48
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNA5 P30532 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NPY5R Q15761 1/20 0.45
CYP3A5 P20815 1/20 0.45

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
Water SCHEMBL28116587 1.00
SCHEMBL28776 1.00
SCHEMBL29434996 1.00
Water SCHEMBL4803706 1.00 CYP11B2 (0.61) CYP11B2CYP19A1CYP2A6CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL32685327 0.98 CYP11B2 (0.59) CYP11B2CYP19A1CYP2A6CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL22031517 0.98 CYP11B2 (0.59) CYP11B2CYP19A1CYP2A6CYP3A4CYP2C9
Benzene SCHEMBL15416232 0.98 CYP11B2 (0.59) CYP11B2CYP19A1CYP2A6CYP3A4CYP2C9
Bromide SCHEMBL9901166 0.98
Hydrochloric Acid SCHEMBL6439131 0.98
Hydrochloric Acid SCHEMBL30009897 0.98 CYP11B2 (0.59) CYP11B2CYP19A1CYP2A6CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190293-A1 RUBBER COMPOSITION, METHOD FOR MANUFACTURING RUBBER COMPOSITION, AND TIRE BRIDGESTONE CORPORATION (JP) 2020-06-18 US disclosed
EP-3608363-A1 RUBBER COMPOSITION, METHOD FOR PRODUCING RUBBER COMPOSITION, AND TIRE Bridgestone Corporation (JP) 2020-02-12 EP disclosed
CN-106478498-B The method for combining purification 4- cyanopyridine using chemistry recrystallization and physical separation 哈尔滨理工大学 2019-03-08 CN disclosed
CN-106478498-A Using chemical recrystallization and physical separation combine purification 4 cyanopyridines method 哈尔滨理工大学 2017-03-08 CN disclosed
US-8309657-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-11-13 US disclosed
US-20110196086-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2011-08-11 US disclosed
EP-2336233-A1 RUBBER COMPOSITION Bridgestone Corporation (JP) 2011-06-22 EP disclosed
CN-1116277-C Process for preparing carbocyclic or heterocyclic nitriles by vapor phase ammoxidation MITSUBISHI RAYON CO (JP) 2003-07-30 CN disclosed
CN-1188104-A Process for preparing carbocyclic or heterocyclic nitriles by vapor phase ammoxidation NITTO CHEMICAL INDUSTRY CO LTD (JP) 1998-07-22 CN disclosed