SCHEMBL6497434

SCHEMBL6497434

Cc1cc([N+](=O)[O-])c(C)cc1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP19A1 P11511 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
DAO P14920 1/20 0.40
RXRA P19793 1/20 0.40
ACP3 P15309 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL22898030 0.82 TDO2 (0.45) CYP3A4MAPTCYP19A1HTR2AHTR2C
SCHEMBL29559505 0.82 TDO2 (0.45) CYP3A4MAPTCYP19A1HTR2AHTR2C
SCHEMBL6495353 0.79 RAB9A (0.47) ALDH1A1LMNACYP1A2CYP3A4MAPT
SCHEMBL6489721 0.77 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3781829 0.74 HTR2A (0.41) ALDH1A1LMNAMAPTHTR2AHTR2C
SCHEMBL7128965 0.73 SRD5A2 (0.50) ALDH1A1CYP1A2CYP3A4MAPTMAPK1
SCHEMBL29149364 0.73 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2CYP3A4MAPT
SCHEMBL550823 0.73 TSHR (0.44) ALDH1A1LMNACYP3A4MAPTMAPK1
SCHEMBL10796106 0.72 MEN1 (0.57) ALDH1A1LMNACYP1A2MAPTCYP2C19
SCHEMBL3778792 0.72 MAPK1 (0.55) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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
US-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed
EP-1150944-A1 N2-PHENYLAMIDINE DERIVATIVES Aventis CropScience GmbH (DE) 2001-11-07 EP disclosed
WO-2000046184-A1 N2-PHENYLAMIDINE DERIVATIVES AVENTIS CROPSCIENCE GMBH (FR) 2000-08-10 WO disclosed