SCHEMBL11252164

SCHEMBL11252164

OC(C#CI)(c1ccccc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 12/20 0.48
KCNH2 Q12809 7/20 0.48
KIF11 P52732 1/20 0.44
NPY2R P49146 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPAS1 Q99814 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL11048505 0.81 ALDH1A1 (0.47) SMN1; SMN2MEN1ALDH1A1TSHRKMT2A
SCHEMBL11046220 0.78 TRPV1 (0.42) CCR6KCNH2MAPTSMN1; SMN2MEN1
SCHEMBL11254850 0.71 CHRM2 (0.43) KIF11MEN1ALDH1A1KMT2A
SCHEMBL11250352 0.71 CYP19A1 (0.36) ALDH1A1CYP3A4TSHR
SCHEMBL11049277 0.69 KCNN4 (0.44) KCNH2KIF11MEN1ALDH1A1TSHR
SCHEMBL1758086 0.69 ALDH1A1 (0.53) SMN1; SMN2MEN1ALDH1A1TSHRKMT2A
SCHEMBL27862141 0.69 KIF11 (0.47) CCR6KCNH2KIF11GRIN2BMAPT
SCHEMBL168125 0.69 KIF11 (0.47) CCR6KCNH2KIF11GRIN2BMAPT
SCHEMBL11265768 0.68 KDM4E (0.57) KCNH2CYP3A4HIF1A
Methyl Alcohol SCHEMBL27964960 0.67 CCR6 (0.47) CCR6KCNH2KIF11GRIN2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322442-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-03-30 US claimed