SCHEMBL9527922

SCHEMBL9527922

O=c1nc(Cc2ccccc2)n(Cc2ccccc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.46
LMNA P02545 2/20 0.44
CXCR2 P25025 5/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10055700 0.69 MEN1 (0.60) LMNATP53MDM2MEN1KMT2A
SCHEMBL13495124 0.69 DAO (0.53) DAOLMNAMEN1KMT2A
SCHEMBL7656605 0.67 CXCR2 (0.67) DAOCXCR2
SCHEMBL6502344 0.67 ALDH1A1 (0.51) LMNA
SCHEMBL14407557 0.65 PDE4A (0.68) LMNANPC1RAB9ATP53MDM2
SCHEMBL21055329 0.65 MEN1 (0.51) DAOLMNACXCR2F2PLG
SCHEMBL18324390 0.64 NPSR1 (0.53) DAOLMNACXCR2NPC1RAB9A
SCHEMBL4741835 0.64 LMNA (0.51) LMNATP53MDM2MEN1KMT2A
SCHEMBL196531 0.63 F2 (0.54) DAOLMNAF2PLGELANE
SCHEMBL4699093 0.63 DAO (0.46) DAOF2PLGELANECTSG

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
EP-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP disclosed