SCHEMBL8928406

SCHEMBL8928406

CCc1cc2c(s1)-n1c(nnc1CNC(=O)Nc1ccccc1Cl)CN=C2c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.53
PDE4D Q08499 1/20 0.53
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.43
PTAFR P25105 10/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8928618 0.95 OPRK1 (0.54) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928447 0.93 OPRK1 (0.47) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928456 0.92 OPRK1 (0.63) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8929213 0.88 OPRK1 (0.60) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928583 0.88 OPRK1 (0.62) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928491 0.87 OPRK1 (0.47) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928983 0.87 OPRK1 (0.59) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928565 0.86 HPGD (0.45) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928493 0.86 OPRK1 (0.46) OPRK1PDE4DRECQLSMN1; SMN2HPGD
SCHEMBL8928537 0.86 OPRK1 (0.54) OPRK1PDE4DPTAFRCYP3A4ALOX15

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-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed