SCHEMBL2584416

SCHEMBL2584416

NCC=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
SOS1 Q07889 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAOB P27338 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
BACE1 P56817 1/20 0.49
CA12 O43570 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 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
SCHEMBL5149274 1.00 MAPT (0.56) MAPTSOS1CYP1A2CYP2D6CYP2C9
SCHEMBL9978289 0.82 MAPT (0.69) MAPTSOS1MAOBLMNAALDH1A1
SCHEMBL14935499 0.82 MAPT (0.69) MAPTSOS1MAOBLMNAALDH1A1
SCHEMBL11049170 0.82 MAPT (0.69) MAPTSOS1MAOBLMNAALDH1A1
SCHEMBL4631530 0.82 MAPT (0.60) MAPTSOS1CYP1A2CYP2D6CYP2C9
SCHEMBL9113908 0.82 MAPT (0.56) MAPTSOS1CYP1A2CYP2D6CYP2C9
SCHEMBL10149216 0.82 ALDH1A1 (0.57) MAPTSOS1CYP1A2CYP2D6CYP2C9
SCHEMBL7284481 0.82 MAPT (0.56) MAPTSOS1CYP1A2CYP2D6CYP2C9
SCHEMBL4366480 0.82 MAPT (0.56) MAPTSOS1CYP1A2CYP2D6CYP2C9
SCHEMBL4687052 0.82 MAPT (0.56) MAPTSOS1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624045-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-03-01 CN disclosed
CN-106074591-A RNA interference in eye disease 雷克西制药公司 2016-11-09 CN disclosed
CN-105873910-A Macrocyclic insulin-degrading enzyme (IDE) inhibitors and uses thereof 哈佛大学的校长及成员们 2016-08-17 CN disclosed
CN-105705143-A Nucleic acid nanostructures for in vivo agent delivery 达娜-法勃肿瘤研究所公司 2016-06-22 CN disclosed
CN-105307667-A Stapled and sutured polypeptides and uses thereof HARVARD COLLEGE 2016-02-03 CN disclosed
CN-103108642-B RNA interference in cutaneous and fibrotic conditions Lexie Pharmaceuticals (US) 2015-09-23 CN disclosed
CN-102971288-B Novel process for producing bisaminophenylalkylurea NISSAN CHEMICAL IND LTD 2015-01-21 CN disclosed
CN-102971288-A Novel process for producing bisaminophenylalkylurea NISSAN CHEMICAL IND LTD 2013-03-13 CN disclosed
WO-2011136231-A1 NOVEL PROCESS FOR PRODUCING BISAMINOPHENYLALKYLUREA 日産化学工業株式会社 (JP) 2011-11-03 WO disclosed
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP disclosed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO disclosed
EP-0394058-A1 Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-24 EP disclosed