SCHEMBL8928447

SCHEMBL8928447

CCc1cc2c(s1)-n1c(nnc1CNC(=O)Nc1ccccc1OC)CN=C2c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.47
PDE4D Q08499 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PTAFR P25105 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL8928406 0.93 OPRK1 (0.53) OPRK1PDE4DKMT2ASMN1; SMN2RECQL
SCHEMBL8928493 0.93 OPRK1 (0.46) OPRK1PDE4DMEN1KMT2ASMN1; SMN2
SCHEMBL8928983 0.91 OPRK1 (0.59) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL8928618 0.88 OPRK1 (0.54) OPRK1PDE4DKMT2ASMN1; SMN2RECQL
SCHEMBL8928456 0.85 OPRK1 (0.63) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928491 0.85 OPRK1 (0.47) OPRK1PDE4DMEN1KMT2ASMN1; SMN2
SCHEMBL8929213 0.83 OPRK1 (0.60) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928656 0.83 OPRK1 (0.44) OPRK1PDE4DMEN1KMT2ASMN1; SMN2
SCHEMBL8928583 0.82 OPRK1 (0.62) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928716 0.80 OPRK1 (0.47) OPRK1PDE4DKMT2ASMN1; SMN2RECQL

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