SCHEMBL9521990

SCHEMBL9521990

CCCCCCCCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccc(C)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 18/20 0.57
OPRK1 P41145 1/20 0.53
PDE4D Q08499 1/20 0.53
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9523433 1.00 PTAFR (0.57) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9523451 0.90 PTAFR (0.59) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9523381 0.90 PTAFR (0.59) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522236 0.90 PTAFR (0.59) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10464293 0.90 PTAFR (0.59) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522234 0.89 PTAFR (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522304 0.89 PTAFR (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9523137 0.89 PTAFR (0.63) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10465293 0.89 PTAFR (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9522870 0.89 PTAFR (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315698-B1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-4960770-A Vasodilating agents, cardiovascular disorder YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-02 US disclosed
EP-0315698-A1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-05-17 EP disclosed