SCHEMBL8928636

SCHEMBL8928636

Cc1sc2c(c1C)C(c1ccccc1)=NCc1nnc(CNC(=O)c3cc4ccccc4[nH]3)n1-2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.44
BRD4 O60885 8/20 0.43
NAMPT P43490 6/20 0.43
OPRK1 P41145 1/20 0.40
HSPA8 P11142 1/20 0.39
HSPA2 P54652 1/20 0.39
HTR2C P28335 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PYGL P06737 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8928679 0.87 MIF (0.45) MIFOPRK1HTR2CDRD2DRD3
SCHEMBL8928848 0.84 OPRK1 (0.44) MIFOPRK1HTR2CDRD2DRD3
SCHEMBL8928781 0.83 MIF (0.46) MIFOPRK1HTR2CKDM4EHSD17B10
SCHEMBL8928404 0.81 HPGD (0.41) BRD4OPRK1KDM4E
SCHEMBL8928876 0.81 MEN1 (0.37) BRD4
SCHEMBL8928590 0.78 OPRK1 (0.46) MIFBRD4NAMPTOPRK1HTR2C
SCHEMBL8928429 0.78 MEN1 (0.35) BRD4KDM4EHSD17B10
SCHEMBL8928620 0.78 SMN1; SMN2 (0.40) BRD4KDM4E
SCHEMBL8928425 0.78 MAPK1 (0.44) BRD4OPRK1
SCHEMBL8928549 0.77 MIF (0.43) MIFOPRK1

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