SCHEMBL9251143

SCHEMBL9251143

NC(=O)C(C(=O)O)N(CCCCc1ccccc1)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 7/20 0.48
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 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
SCHEMBL9246078 0.90 HCAR3 (0.47) HCAR3KMT2APKMKDM4EGLA
SCHEMBL9248820 0.86 HCAR3 (0.50) HCAR3KMT2APKMKDM4EGLA
SCHEMBL9254786 0.86 HCAR3 (0.51) HCAR3KDM4EGLALMNACASP6
SCHEMBL9247821 0.86 HCAR3 (0.57) HCAR3LMNACASP6MAPTTSHR
SCHEMBL9248881 0.85 HCAR3 (0.50) HCAR3KDM4EGLALMNACASP6
SCHEMBL9252433 0.81 BLM (0.45) HCAR3KMT2APKMKDM4EALDH1A1
SCHEMBL9251600 0.78 ALDH1A1 (0.50) HCAR3KDM4EALDH1A1LMNACASP6
Hydrochloric Acid SCHEMBL9246058 0.78 MAPT (0.62) HCAR3KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9251077 0.78 HCAR3 (0.43) HCAR3KMT2AKDM4EGLALMNA
SCHEMBL9245382 0.77 HCAR3 (0.53) HCAR3SMN1; SMN2MAPT

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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