SCHEMBL10710331

SCHEMBL10710331

CC1(C)[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)n2)[C@@H]1C=C(Cl)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.41
CNR1 P21554 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10709432 1.00 TDP1 (0.59) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL10706160 1.00 TDP1 (0.59) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL10710325 1.00 TDP1 (0.59) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL10706162 1.00 TDP1 (0.59) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL10709435 1.00 TDP1 (0.59) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL13824818 0.94 TDP1 (0.52) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL29391915 0.92 TDP1 (0.69) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL11270951 0.92 TDP1 (0.69) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL11268455 0.92 TDP1 (0.69) TDP1ALDH1A1LMNAADRA2ACNR1
SCHEMBL118147 0.92 TDP1 (0.69) TDP1ALDH1A1LMNAADRA2ACNR1

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-0145179-B1 HALO((PHENOXYPYRIDYL)METHYL)ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-23 EP disclosed