SCHEMBL9254786

SCHEMBL9254786

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 13/20 0.51
▸ LMNA P02545 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ TSHR P16473 2/20 0.41
▸ APEX1 P27695 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 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
SCHEMBL9248881 0.90 HCAR3 (0.50) HCAR3LMNACASP6TSHRAPEX1
SCHEMBL9247821 0.88 HCAR3 (0.57) HCAR3LMNACASP6TSHR
Hydrochloric Acid SCHEMBL9255156 0.88 HCAR3 (0.48) HCAR3LMNACASP6TSHR
SCHEMBL9251143 0.86 HCAR3 (0.48) HCAR3LMNACASP6TSHRKDM4E
SCHEMBL9251077 0.82 HCAR3 (0.43) HCAR3LMNACASP6TSHRAPEX1
SCHEMBL9248820 0.82 HCAR3 (0.50) HCAR3LMNACASP6TSHRKDM4E
SCHEMBL9251405 0.79 HCAR3 (0.64) HCAR3LMNACASP6TSHRKDM4E
SCHEMBL9245382 0.79 HCAR3 (0.53) HCAR3
Hydrochloric Acid SCHEMBL9246058 0.78 MAPT (0.62) HCAR3LMNA
SCHEMBL9252433 0.78 BLM (0.45) HCAR3LMNAKDM4E

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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