SCHEMBL8923796

SCHEMBL8923796

Nc1ccc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOB P27338 2/20 0.36
PTGS1 P23219 3/20 0.35
MAPK1 P28482 3/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8922388 0.93 KIF11 (0.50) KIF11ESR1ESR2MAPTMEN1
SCHEMBL6279531 0.91 KIF11 (0.45) KIF11ESR1ESR2MAPTMEN1
SCHEMBL6366801 0.88 CYP3A4 (0.52) KIF11ESR1ESR2ALDH1A1TDP1
SCHEMBL8921766 0.88 ALDH1A1 (0.53) KIF11ESR1ESR2MAPTMEN1
SCHEMBL203678 0.87 ESR1 (0.56) KIF11ESR1ESR2MAPTMEN1
SCHEMBL10493869 0.87 ESR1 (0.56) KIF11ESR1ESR2MAPTMEN1
SCHEMBL107817 0.87 ESR1 (0.56) KIF11ESR1ESR2MAPTMEN1
Ammonia Solution, Strong SCHEMBL3258090 0.85 ESR1 (0.54) KIF11ESR1ESR2MAPTMEN1
Hydrochloric Acid SCHEMBL8642415 0.85 ESR1 (0.54) KIF11ESR1ESR2MAPTMEN1
SCHEMBL6363970 0.82 CYP3A4 (0.50) KIF11ESR1ESR2ALDH1A1TDP1

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
JP-61019634-A None JP disclosed
US-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
EP-0708149-A1 Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
JP-S6119634-A PRODUCTION OF ORGANIC SOLVENT-SOLUBLE POLYIMIDE COMPOUND JAPAN SYNTHETIC RUBBER CO LTD 1986-01-28 JP disclosed