SCHEMBL14022965

SCHEMBL14022965

CCCCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP19A1 P11511 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
MAPK1 P28482 1/20 0.54
HSD11B1 P28845 2/20 0.51
NR1I2 O75469 1/20 0.50
NMBR P28336 1/20 0.50
GRPR P30550 1/20 0.50
BRS3 P32247 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 3/20 0.48

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
SCHEMBL8814320 0.95 CYP1A2 (0.64) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL28175142 0.93 CYP1A2 (0.62) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29002823 0.93 CYP1A2 (0.62) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19496902 0.93 CYP1A2 (0.62) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3393437 0.93 CYP1A2 (0.62) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2338244 0.92 CYP1A2 (0.60) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3177333 0.89 CYP1A2 (0.60) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19102105 0.88 CYP1A2 (0.52) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL18466596 0.88 CYP1A2 (0.58) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2344310 0.88 CYP1A2 (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139869-B Diphosphino metal complexes, methods of making and methods of use 香港大学 2022-03-22 CN claimed
CN-110139869-B Diphosphino metal complexes, methods of making and methods of use 香港大学 2022-03-22 CN disclosed
EP-3722277-A2 3'END CAPS FOR RNA-INTERFERRING AGENTS FOR USE IN RNA Novartis AG (CH) 2020-10-14 EP disclosed
WO-2018121465-A1 DIPHOSPHINO METALLIC COMPLEXES, METHODS OF MAKING AND USING THE UNIVERSITY OF HONG KONG (CN) 2018-07-05 WO disclosed
CN-101835745-B Method for producing disulfonic acid compound, asymmetric mannich catalyst, method for producing beta-aminocarbonyl derivative, and disulfonate salt UNIV NAGOYA NAT UNIV CORP 2013-08-28 CN disclosed
CN-101835745-A Method for producing disulfonic acid compound, asymmetric mannich catalyst, method for producing beta-aminocarbonyl derivative, and novel disulfonate UNIV NAGOYA NAT UNIV CORP 2010-09-15 CN disclosed
US-20080248220-A1 Light-Emitting Material and Light-Emitting Device Using the Same SUMITOMO CHEMICAL COMPANY,LIMITED 2008-10-09 US disclosed
US-20080248220-A1 Light-Emitting Material and Light-Emitting Device Using the Same SUMITOMO CHEMICAL COMPANY,LIMITED 2008-10-09 US disclosed