SCHEMBL9251600

SCHEMBL9251600

NC(=O)C(C(=O)O)N(Cc1cccnc1)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HCAR3 P49019 5/20 0.44
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ PTAFR P25105 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL9248820 0.89 HCAR3 (0.50) ALDH1A1HCAR3LMNAMAPTCASP6
SCHEMBL9251143 0.78 HCAR3 (0.48) ALDH1A1HCAR3LMNAMAPTCASP6
SCHEMBL9254786 0.77 HCAR3 (0.51) HCAR3LMNACASP6KDM4E
SCHEMBL9248881 0.76 HCAR3 (0.50) HCAR3LMNACASP6KDM4E
SCHEMBL9252433 0.74 BLM (0.45) ALDH1A1HCAR3LMNAMAPTSMN1; SMN2
SCHEMBL9247821 0.74 HCAR3 (0.57) HCAR3LMNAMAPTCASP6GAA
SCHEMBL9251405 0.73 HCAR3 (0.64) HCAR3LMNACASP6KDM4E
Hydrochloric Acid SCHEMBL9246058 0.71 MAPT (0.62) ALDH1A1HCAR3LMNAMAPTSMN1; SMN2
SCHEMBL31612034 0.69 HCAR3 (0.68) ALDH1A1HCAR3LMNAMAPTCASP6
SCHEMBL9246078 0.69 HCAR3 (0.47) ALDH1A1HCAR3LMNAMAPTSMN1; SMN2

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 — — US disclosed
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