SCHEMBL7603736

SCHEMBL7603736

Clc1ccc2oc(-c3ccc(C=Cc4ccccc4)cc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.76
CASP3 P42574 5/20 0.76
SENP7 Q9BQF6 5/20 0.76
SENP6 Q9GZR1 3/20 0.76
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 3/20 0.63
LMNA P02545 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
MAPT P10636 2/20 0.61
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
CETP P11597 4/20 0.54
SENP8 Q96LD8 2/20 0.53

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
SCHEMBL7885069 0.94 KDM4E (0.70) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL7885065 0.94 KDM4E (0.70) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL7603618 0.93 CASP3 (0.69) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL7603620 0.93 CASP3 (0.69) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL11563569 0.91 CASP3 (0.71) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL24881857 0.87 SMN1; SMN2 (0.94) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL2141073 0.87 SMN1; SMN2 (1.00) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL30729297 0.87 SMN1; SMN2 (1.00) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL9858039 0.84 SMN1; SMN2 (0.59) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL7609308 0.83 SMN1; SMN2 (0.76) SMN1; SMN2CASP3SENP7SENP6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265876-A1 PREPARATION OF MIXTURES OF BENZOXAZOLYL-STILBENE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2002-12-18 EP disclosed
WO-2001064658-A1 PREPARATION OF MIXTURES OF BENZOXAZOLYL-STILBENE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2001-09-07 WO disclosed