SCHEMBL8928491

SCHEMBL8928491

CCc1cc2c(s1)-n1c(nnc1CNC(=O)Nc1cccc(C)c1)CN=C2c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PTAFR P25105 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
BRD4 O60885 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AKT1 P31749 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8928465 0.93 OPRK1 (0.47) OPRK1PDE4DSMN1; SMN2RECQLHPGD
SCHEMBL8928580 0.90 OPRK1 (0.60) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928406 0.87 OPRK1 (0.53) OPRK1PDE4DSMN1; SMN2RECQLHPGD
SCHEMBL8928447 0.85 OPRK1 (0.47) OPRK1PDE4DSMN1; SMN2RECQLHPGD
SCHEMBL8928771 0.85 OPRK1 (0.59) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8929213 0.85 OPRK1 (0.60) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928437 0.84 HPGD (0.41) SMN1; SMN2RECQLHPGDNPC1RAB9A
SCHEMBL8928656 0.84 OPRK1 (0.44) OPRK1PDE4DSMN1; SMN2RECQLHPGD
SCHEMBL8928508 0.83 OPRK1 (0.50) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928915 0.83 OPRK1 (0.62) OPRK1PDE4DPTAFRCYP3A4ALOX15

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