SCHEMBL6500399

SCHEMBL6500399

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALPG P10696 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 3/20 0.40
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL6500395 1.00 MAPT (0.45) MAPTNPSR1HTTLMNARAB9A
SCHEMBL21495637 0.81 MAPT (0.40) MAPTLMNAGFERGAADAO
SCHEMBL6498343 0.81 MAPT (0.40) MAPTLMNAGFERGAADAO
SCHEMBL15022922 0.81 SLC6A2 (0.47) MAPTNPSR1RAB9ACYP3A4GFER
SCHEMBL6498345 0.81 MAPT (0.40) MAPTLMNAGFERGAADAO
SCHEMBL15022920 0.81 SLC6A2 (0.47) MAPTNPSR1RAB9ACYP3A4GFER
SCHEMBL6490179 0.76 RAB9A (0.49) MAPTNPSR1HTTLMNARAB9A
SCHEMBL3185075 0.74 IDO1 (0.39) MAPTHTTLMNAL3MBTL1GFER
SCHEMBL3185070 0.74 IDO1 (0.39) MAPTHTTLMNAL3MBTL1GFER
SCHEMBL3185063 0.74 IDO1 (0.39) MAPTHTTLMNAL3MBTL1GFER

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 2 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