SCHEMBL8928465

SCHEMBL8928465

CCc1cc2c(s1)-n1c(nnc1CNC(=O)Nc1cccc(C)c1)CN=C2c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
CCKBR P32239 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PTAFR P25105 1/20 0.38
AKT1 P31749 1/20 0.37
KMT2A Q03164 1/20 0.37
CCKAR P32238 2/20 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
SCHEMBL8928491 0.93 OPRK1 (0.47) OPRK1PDE4DSMN1; SMN2RECQLKDM4E
SCHEMBL8928437 0.91 HPGD (0.41) SMN1; SMN2RECQLKDM4EHPGDCCKBR
SCHEMBL8928580 0.91 OPRK1 (0.60) OPRK1PDE4DCYP3A4ALOX15PTAFR
SCHEMBL8928656 0.91 OPRK1 (0.44) OPRK1PDE4DSMN1; SMN2RECQLHPGD
SCHEMBL8928531 0.86 HPGD (0.41) SMN1; SMN2RECQLKDM4EHPGDCCKBR
SCHEMBL8928618 0.86 OPRK1 (0.54) OPRK1PDE4DSMN1; SMN2RECQLKDM4E
SCHEMBL8928508 0.85 OPRK1 (0.50) OPRK1PDE4DCYP3A4ALOX15PTAFR
SCHEMBL8928915 0.85 OPRK1 (0.62) OPRK1PDE4DCYP3A4ALOX15PTAFR
SCHEMBL8928620 0.84 SMN1; SMN2 (0.40) SMN1; SMN2RECQLKDM4EHPGDCCKBR
SCHEMBL8928771 0.84 OPRK1 (0.59) OPRK1PDE4DMAPTCYP3A4ALOX15

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