SCHEMBL6490179

SCHEMBL6490179

Cc1cc(SCc2cccc(C(F)(F)F)c2)c(C)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EPHX1 P07099 5/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALPG P10696 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
IDO1 P14902 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL7956575 0.81 EPHX1 (0.47) RAB9ALMNAMAPTHTTNPSR1
SCHEMBL6495353 0.79 RAB9A (0.47) RAB9ALMNAMAPTHTTNPSR1
SCHEMBL20522532 0.78 RAB9A (0.49) RAB9AEPHX1HTR2AHTR2CHTR2B
SCHEMBL6489721 0.76 ALDH1A1 (0.51) EPHX1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL6500395 0.76 MAPT (0.45) RAB9ALMNAMAPTHTTNPSR1
SCHEMBL6500399 0.76 MAPT (0.45) RAB9ALMNAMAPTHTTNPSR1
SCHEMBL23927275 0.74 TAAR1 (0.58) EPHX1HTR2AHTR2CHTR2BTAAR1
SCHEMBL5371939 0.73 MAOB (0.56) RAB9AEPHX1HTR2AHTR2CHTR2B
SCHEMBL25464631 0.72 EPHX1 (0.50) RAB9AMAPTEPHX1HTR2AHTR2C
SCHEMBL1145952 0.71 HTR2A (0.56) RAB9ALMNAMAPTEPHX1HTR2A

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