SCHEMBL8928404

SCHEMBL8928404

Cc1sc2c(c1C)C(c1ccccc1)=NCc1nnc(CNC(=O)c3ccc(Cl)c(Cl)c3)n1-2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
BRD4 O60885 5/20 0.40
BRD2 P25440 3/20 0.40
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
PTAFR P25105 1/20 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
SCHEMBL8928684 0.91 PTAFR (0.45) OPRK1PTAFR
SCHEMBL8928371 0.86 HPGD (0.45) HPGDSMN1; SMN2RECQLBRD4KDM4E
SCHEMBL8928425 0.84 MAPK1 (0.44) HPGDSMN1; SMN2RECQLBRD4BRD2
SCHEMBL8928569 0.83 OPRK1 (0.51) HPGDSMN1; SMN2RECQLBRD4KDM4E
SCHEMBL8928488 0.83 HPGD (0.44) HPGDSMN1; SMN2RECQLBRD4KDM4E
SCHEMBL8928636 0.81 MIF (0.44) BRD4KDM4EOPRK1
SCHEMBL8928900 0.80 PTAFR (0.51) OPRK1PTAFR
SCHEMBL8928520 0.79 HPGD (0.41) HPGDSMN1; SMN2RECQLBRD4KDM4E
SCHEMBL8928876 0.79 MEN1 (0.37) HPGDSMN1; SMN2RECQLBRD4BRD2
SCHEMBL8928620 0.79 SMN1; SMN2 (0.40) HPGDSMN1; SMN2RECQLBRD4KDM4E

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