SCHEMBL8928520

SCHEMBL8928520

Cc1cc2c(s1)-n1c(nnc1CNC(=O)c1ccc(Cl)c(Cl)c1)CN=C2c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTAFR P25105 10/20 0.39
OPRK1 P41145 3/20 0.38
PDE4D Q08499 1/20 0.38
CNR1 P21554 2/20 0.37
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL8928371 0.93 HPGD (0.45) HPGDRECQLSMN1; SMN2PTAFROPRK1
SCHEMBL8928900 0.89 PTAFR (0.51) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928569 0.83 OPRK1 (0.51) HPGDRECQLSMN1; SMN2PTAFROPRK1
SCHEMBL8928716 0.82 OPRK1 (0.47) HPGDRECQLSMN1; SMN2PTAFROPRK1
SCHEMBL8928488 0.80 HPGD (0.44) HPGDRECQLSMN1; SMN2OPRK1CNR1
SCHEMBL8928613 0.80 OPRK1 (0.46) HPGDRECQLSMN1; SMN2PTAFROPRK1
SCHEMBL8928475 0.79 OPRK1 (0.61) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928404 0.79 HPGD (0.41) HPGDRECQLSMN1; SMN2PTAFROPRK1
SCHEMBL8928684 0.79 PTAFR (0.45) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928587 0.78 PTAFR (0.46) PTAFROPRK1PDE4DCYP3A4ALOX15

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