SCHEMBL7625151

SCHEMBL7625151

CC=Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
PLAU P00749 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
PTGS2 P35354 3/20 0.45
PTGS1 P23219 1/20 0.45
NOS1 P29475 5/20 0.43
NOS3 P29474 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL25095247 0.80 S100B (0.41) MAPTNOS1NOS3CYP3A4KDM4E
SCHEMBL1734530 0.77 NOS1 (0.45) MAPTHTR3EHTR3BPLAUHTR3A
SCHEMBL1734529 0.77 NOS1 (0.45) MAPTHTR3EHTR3BPLAUHTR3A
SCHEMBL10153370 0.74 PTGS2 (0.46) MAPTHTR3EHTR3BPLAUHTR3A
SCHEMBL23644553 0.74 NOS1 (0.43) MAPTHTR3EHTR3BPLAUHTR3A
SCHEMBL14395758 0.73 HTR3E (0.52) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL1547498 0.73 HTR3E (0.52) MAPTHTR3EHTR3BPLAUHTR3A
SCHEMBL19322071 0.73 NOS3 (0.44) PLAUPTGS2PTGS1NOS1NOS3
SCHEMBL28964176 0.72 PTGS2 (0.60) MAPTPTGS2PTGS1CYP1A2CYP3A4
SCHEMBL23084247 0.72 NOS3 (0.45) MAPTNOS1NOS3CYP3A4ALDH1A1

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
EP-1237952-A1 METHOD FOR THE HOMOGENEOUS CATALYTIC PRODUCTION OF HIGHLY BRANCHED AMORPHOUS POLYOLEFINS BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP disclosed
WO-2001044317-A1 METHOD FOR THE HOMOGENEOUS CATALYTIC PRODUCTION OF HIGHLY BRANCHED AMORPHOUS POLYOLEFINS BASF AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed