SCHEMBL9756381

SCHEMBL9756381

CCCCc1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
DHODH Q02127 8/20 0.50
PARP1 P09874 3/20 0.49
RIPK1 Q13546 1/20 0.48
BRS3 P32247 1/20 0.44

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
SCHEMBL28263632 0.96 KDM4E (0.50) KDM4EHPGDDHODHPARP1RIPK1
SCHEMBL9224298 0.92 KDM4E (0.54) KDM4EHPGDDHODHPARP1RIPK1
SCHEMBL15808131 0.85 KDM4E (0.56) KDM4EHPGDDHODHPARP1
SCHEMBL9125563 0.85 RIPK1 (0.67) PARP1RIPK1
SCHEMBL461964 0.84 PARP1 (0.58) PARP1
SCHEMBL6948954 0.82 NPC1 (0.55) KDM4EHPGDDHODHPARP1BRS3
SCHEMBL4260461 0.81 KDM4E (0.57) KDM4EHPGDDHODHPARP1
SCHEMBL3245583 0.80 PDE10A (0.54) PARP1
SCHEMBL6841606 0.80 KDM4E (0.56) KDM4EHPGDDHODHPARP1
SCHEMBL9304542 0.79 BRS3 (0.56) BRS3

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-0461040-A1 Imidazol derivatives, their process for production, intermediates, their application as medicaments and the pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1991-12-11 EP disclosed