SCHEMBL9251007

SCHEMBL9251007

N#Cc1ccc(C(=O)CNc2ccc(C(=O)Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.47
HCAR3 P49019 7/20 0.46
LMNA P02545 2/20 0.46
MERTK Q12866 1/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 3/20 0.43
PRSS1 P07477 4/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
VCAM1 P19320 1/20 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
SCHEMBL9251806 0.89 HCAR3 (0.60) KAT2BHCAR3MAPT
SCHEMBL9248817 0.86 LMNA (0.55) KAT2BHCAR3LMNAMAPTKMT2A
SCHEMBL9253843 0.80 HCAR3 (0.47) KAT2BHCAR3LMNAMAPTKMT2A
SCHEMBL9254715 0.78 HCAR3 (0.45) KAT2BHCAR3LMNAMAPTKMT2A
SCHEMBL1602521 0.76 HCAR3 (0.76) HCAR3LMNAMAPTKMT2APKM
SCHEMBL24993978 0.75 KAT2B (0.63) KAT2BHCAR3LMNAMERTKMAPT
SCHEMBL401028 0.75 HCAR3 (0.67) HCAR3MAPTKMT2APKMALDH1A1
SCHEMBL289572 0.71 VCAM1 (0.61) LMNAMAPTALDH1A1VCAM1
SCHEMBL506550 0.71 HCAR3 (0.74) HCAR3LMNAMAPTKMT2AALDH1A1
SCHEMBL9251020 0.71 HCAR3 (0.47) HCAR3MERTKMAPTKMT2AALDH1A1

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 2 patents. 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
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed