SCHEMBL11904604

SCHEMBL11904604

CCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.58
TRPV1 Q8NER1 2/20 0.50
KMT2A Q03164 2/20 0.49
SCN10A Q9Y5Y9 1/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RUNX1 Q01196 3/20 0.47
CBFB Q13951 2/20 0.47

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
SCHEMBL11903504 0.91 PDE10A (0.62) PDE10ATRPV1KMT2ASCN10AKDM4E
SCHEMBL11904599 0.90 PDE10A (0.47) PDE10ATRPV1KMT2AMAPTPKM
SCHEMBL10284557 0.85 PDE10A (0.58) PDE10ATRPV1SCN10ARUNX1CBFB
SCHEMBL10436145 0.84 CYP1A2 (0.62) KMT2AMAPTPKM
SCHEMBL11903503 0.80 PDE10A (0.50) PDE10ATRPV1KMT2ASCN10AKDM4E
SCHEMBL9194512 0.80 CYP1A2 (0.61) PDE10AKMT2A
SCHEMBL11903493 0.80 RUNX1 (0.58) PDE10ATRPV1SCN10ATDP1RUNX1
Hydrochloric Acid SCHEMBL11903522 0.79 PDE10A (0.67) PDE10ATRPV1KMT2AMAPTPKM
SCHEMBL9721050 0.76 KMT2A (0.82) KMT2AMAPTPKMKDM4EMEN1
SCHEMBL11904659 0.76 PDE10A (0.55) PDE10ATRPV1SCN10AMAPTRUNX1

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-8293780-B1 Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making U.S. DEPARTMENT OF ENERGY (US) 2012-10-23 US disclosed
US-8242284-B1 Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 2012-08-14 US disclosed