SCHEMBL8928565

SCHEMBL8928565

Cc1cc2c(s1)-n1c(nnc1CNC(=O)Nc1ccccc1Cl)CN=C2c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
OPRK1 P41145 3/20 0.45
PDE4D Q08499 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43
PTAFR P25105 11/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.40
GABRA1 P14867 1/20 0.40
CNR1 P21554 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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 0.91 OPRK1 (0.54) HPGDOPRK1PDE4DRECQLSMN1; SMN2
SCHEMBL8928406 0.86 OPRK1 (0.53) HPGDOPRK1PDE4DRECQLSMN1; SMN2
SCHEMBL8928425 0.86 MAPK1 (0.44) HPGDOPRK1PDE4DRECQLSMN1; SMN2
SCHEMBL8928500 0.86 MAPK1 (0.43) HPGDOPRK1RECQLSMN1; SMN2MAPK1
SCHEMBL8928437 0.85 HPGD (0.41) HPGDRECQLSMN1; SMN2KDM4E
SCHEMBL8928456 0.84 OPRK1 (0.63) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928625 0.84 OPRK1 (0.47) OPRK1PDE4DMAPK1PTAFRCYP3A4
SCHEMBL8928371 0.84 HPGD (0.45) HPGDOPRK1PDE4DRECQLSMN1; SMN2
SCHEMBL8928448 0.84 OPRK1 (0.49) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928438 0.84 OPRK1 (0.51) OPRK1PDE4DMAPK1PTAFRCYP3A4

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