SCHEMBL8927745

SCHEMBL8927745

CCOCn1c(C(F)(F)F)nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NLRP3 Q96P20 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
APEX1 P27695 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
ACSS2 Q9NR19 1/20 0.37
PPARG P37231 3/20 0.37
MAPT P10636 1/20 0.36
RXRA P19793 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL4969422 0.77 F2 (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4966244 0.72 NR1I2 (0.49) CYP2C9CYP1A2CYP2C19CYP2D6MEN1
SCHEMBL6171933 0.72 PPARG (0.54) MEN1KMT2APPARGMAPT
SCHEMBL9195588 0.71 NLRP3 (0.55) KDM4ENLRP3MEN1KMT2AALDH1A1
SCHEMBL9048541 0.69 CYP19A1 (0.46) KDM4ECYP2C9CYP1A2CYP2C19MEN1
SCHEMBL2242774 0.69 NLRP3 (0.60) KDM4ENLRP3CYP1A2MEN1KMT2A
SCHEMBL6171555 0.68 PPARG (0.55) CYP2C9CYP1A2CYP2C19CYP2D6MEN1
SCHEMBL9046935 0.68 CYP1A2 (0.52) KDM4ECYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL25878191 0.67 ALDH1A1 (0.44) KDM4EALDH1A1TSHR
SCHEMBL16904967 0.67 TRPC5 (0.51) NLRP3CYP2C9CYP1A2CYP2C19CYP2D6

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
US-5656649-A PESTICIDE, INSECTICIDES, NEMATOCIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-08-12 US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
WO-1994011349-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 EP disclosed