SCHEMBL6009586

SCHEMBL6009586

Cc1ccc2c(c1)[nH]c1cc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.62
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.55
PARP1 P09874 1/20 0.53
RXFP1 Q9HBX9 1/20 0.48
CA9 Q16790 1/20 0.47
ESR1 P03372 1/20 0.45
VDR P11473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CHEK1 O14757 1/20 0.44
MAT2A P31153 2/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2760335 0.90 KIF11 (0.64) KIF11TP53SMN1; SMN2LMNAPARP1
SCHEMBL4256780 0.87 KIF11 (0.78) KIF11LMNARXFP1ALDH1A1MITF
SCHEMBL29518339 0.87 KIF11 (0.78) KIF11LMNARXFP1ALDH1A1MITF
SCHEMBL6009587 0.87 PARP1 (0.65) TP53SMN1; SMN2LMNAPARP1CA9
SCHEMBL31167250 0.87 PARP1 (0.65) TP53SMN1; SMN2LMNAPARP1CA9
SCHEMBL14355038 0.84 PARP1 (0.70) KIF11TP53SMN1; SMN2LMNAPARP1
SCHEMBL2141394 0.82 PARP1 (0.61) TP53SMN1; SMN2LMNAPARP1CA9
SCHEMBL13828017 0.82 KIF11 (0.72) KIF11LMNARXFP1MITFMAPT
SCHEMBL25835544 0.82 PARP1 (0.67) TP53SMN1; SMN2LMNAPARP1CA9
SCHEMBL23253635 0.81 TP53 (0.46) KIF11TP53SMN1; SMN2LMNAPARP1

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-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed