SCHEMBL9224298

SCHEMBL9224298

CCCc1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ DHODH Q02127 15/20 0.52
▸ PARP1 P09874 2/20 0.51
▸ RIPK1 Q13546 1/20 0.44
▸ CHEK1 O14757 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
SCHEMBL9756381 0.92 KDM4E (0.51) KDM4EHPGDDHODHPARP1RIPK1
SCHEMBL28263632 0.90 KDM4E (0.50) KDM4EHPGDDHODHPARP1RIPK1
SCHEMBL15808131 0.88 KDM4E (0.56) KDM4EHPGDDHODHPARP1CHEK1
SCHEMBL12385320 0.87 PARP1 (0.62) DHODHPARP1
SCHEMBL1917467 0.85 RIPK1 (0.62) KDM4EPARP1RIPK1CHEK1
SCHEMBL6948954 0.84 NPC1 (0.55) KDM4EHPGDDHODHPARP1
SCHEMBL4260461 0.83 KDM4E (0.57) KDM4EHPGDDHODHPARP1
SCHEMBL6841606 0.82 KDM4E (0.56) KDM4EHPGDDHODHPARP1
SCHEMBL7474954 0.81 KDM4E (0.52) KDM4EHPGDDHODHPARP1
Hydrochloric Acid SCHEMBL4885974 0.81 KDM4E (0.55) KDM4EHPGDDHODHPARP1

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
WO-1995001176-A1 USE OF AN ANGIOTENSIN II ANTAGONIST AS AN OCULAR HYPOTENSIVE AGENT SENJU PHARMACEUTICAL CO., LTD. (JP) 1995-01-12 — — WO disclosed
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