SCHEMBL9252433

SCHEMBL9252433

NC(=O)C(C(=O)O)N(CCN1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ TNF P01375 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ HCAR3 P49019 4/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ACHE P22303 3/20 0.40

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
Hydrochloric Acid SCHEMBL9254154 0.90 THRB (0.44) BLML3MBTL1ALDH1A1MAPTLMNA
SCHEMBL9248820 0.82 HCAR3 (0.50) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL9251143 0.81 HCAR3 (0.48) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL9251077 0.81 HCAR3 (0.43) LMNAHCAR3MEN1KMT2AKDM4E
SCHEMBL9254786 0.78 HCAR3 (0.51) LMNAHCAR3KDM4E
SCHEMBL9248881 0.77 HCAR3 (0.50) LMNAHCAR3KDM4E
SCHEMBL9247821 0.75 HCAR3 (0.57) MAPTLMNAGAATHRBHCAR3
SCHEMBL9251600 0.74 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL9246078 0.72 HCAR3 (0.47) ALDH1A1MAPTLMNAPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL9246058 0.72 MAPT (0.62) ALDH1A1MAPTLMNAGAASMN1; 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
Send feedback