SCHEMBL11206176

SCHEMBL11206176

CC1(C)C(C=C(Cl)C(F)(F)F)C1C(C#N)c1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX5 P09917 4/20 0.36
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL11206173 1.00 TDP1 (0.46) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL3844497 0.93 TDP1 (0.53) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL27463563 0.93 TDP1 (0.53) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL27463562 0.93 TDP1 (0.53) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL27463564 0.93 TDP1 (0.53) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL3844494 0.93 TDP1 (0.53) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL9247166 0.83 TDP1 (0.63) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL11039301 0.83 TDP1 (0.63) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL9247169 0.83 TDP1 (0.63) TDP1ALDH1A1ALOX5KMT2AMAPT
SCHEMBL5604454 0.83 TDP1 (0.63) TDP1ALDH1A1ALOX5KMT2AMAPT

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
EP-0091208-A1 Method for combating insect pests, and novel cyclopropane carboxylates useful as active ingredients therein IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-10-12 EP claimed