SCHEMBL9070632

SCHEMBL9070632

Cc1cccc(Nc2ccc(OCC(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
PAX8 Q06710 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9070633 0.84 MEN1 (0.47) NPSR1PIK3CDPIK3CAPIK3CBHTT
SCHEMBL9069320 0.82 PIK3CD (0.61) NPSR1PIK3CDPIK3CAPIK3CBHTT
SCHEMBL9069310 0.78 MAPT (0.61) NPSR1PIK3CDPIK3CAPIK3CBHTT
SCHEMBL4348572 0.77 ACHE (0.50) MAPTCYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL30145137 0.77 NPSR1 (0.86) NPSR1HTTMAPTCYP1A2CYP2C9
SCHEMBL1922070 0.77 NPSR1 (0.86) NPSR1HTTMAPTCYP1A2CYP2C9
SCHEMBL10523964 0.77 NPSR1 (0.86) NPSR1HTTMAPTCYP1A2CYP2C9
SCHEMBL11085812 0.76 NPSR1 (0.66) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9073205 0.75 PIK3CD (0.60) NPSR1PIK3CDPIK3CAPIK3CBHTT
SCHEMBL9441312 0.73 MEN1 (0.47) NPSR1PIK3CDPIK3CAPIK3CBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475676-B1 Electrophotographic member HITACHI CHEMICAL CO LTD (JP) 1996-04-03 EP disclosed
US-5403958-A Fluoroalkoxy-substituted diarylamines as intermediates for charge transfer compounds HITACHI CHEMICAL CO., LTD. (JP) 1995-04-04 US disclosed
US-5352834-A Fluorine-containing N,N,N*,N*-tetraarylbenzidine derivative as charge transport material for electrography HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-10-04 US disclosed
US-5160487-A Tetraarylbenzidine derivative as charge transport compound HITACHI CHEMICAL COMPANY, LTD. (JP) 1992-11-03 US disclosed
EP-0475676-A1 Electrophotographic member HITACHI CHEMICAL CO., LTD. (JP) 1992-03-18 EP disclosed