SCHEMBL9864060

SCHEMBL9864060

COc1cc(CCc2ccc(C3=NCc4nnc(C)n4-c4sccc43)cc2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 15/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39
BRD4 O60885 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
SCHEMBL9864381 0.85 OPRK1 (0.57) PTAFRSMN1; SMN2ALDH1A1LMNAOPRK1
SCHEMBL10469799 0.81 PTAFR (0.51) PTAFRSMN1; SMN2ALDH1A1LMNAOPRK1
SCHEMBL9864389 0.79 PTAFR (0.42) PTAFRSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2442196 0.76 GABRA1 (0.57) PTAFRLMNAHPGDOPRK1PDE4D
SCHEMBL10471631 0.74 PTAFR (0.44) PTAFRSMN1; SMN2ALDH1A1LMNAOPRK1
SCHEMBL10459976 0.74 PTAFR (0.45) PTAFR
SCHEMBL10469812 0.74 PTAFR (0.44) PTAFR
SCHEMBL10471633 0.74 PTAFR (0.42) PTAFRSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL10471634 0.73 PTAFR (0.39) PTAFRSMN1; SMN2ALDH1A1LMNAOPRK1
SCHEMBL10471364 0.73 TUBB4A (0.51) PTAFRALDH1A1HPGD

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-0407955-A1 New hetrazepines acting as PAF antagonists, process for their production and their use as drugs BOEHRINGER INGELHEIM KG (DE) 1991-01-16 EP disclosed