SCHEMBL9070633

SCHEMBL9070633

Cc1ccc(Nc2ccc(OCC(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 3/20 0.47
PAX8 Q06710 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL1710060 0.89 NPC1 (0.47) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL9069310 0.86 MAPT (0.61) MEN1KMT2ALMNAPAX8PIK3CD
SCHEMBL9070632 0.84 NPSR1 (0.53) MEN1KMT2ALMNAPAX8PIK3CD
SCHEMBL9069320 0.84 PIK3CD (0.61) MEN1KMT2ALMNAPAX8PIK3CD
SCHEMBL12015662 0.79 MEN1 (0.50) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL9073205 0.79 PIK3CD (0.60) MEN1KMT2ALMNAPAX8PIK3CD
Acetaldehyde SCHEMBL27973957 0.79 NPC1 (0.44) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL14108152 0.79 NPC1 (0.44) MEN1KMT2ALMNAPAX8SMN1; SMN2
SCHEMBL498377 0.78 ALDH1A1 (0.56) MEN1KMT2ALMNAPAX8PIK3CD
Hydrochloric Acid SCHEMBL28806796 0.78 MEN1 (0.49) MEN1KMT2ALMNAPAX8SMN1; SMN2

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