SCHEMBL11623955

SCHEMBL11623955

CSc1ccc(C(=O)NCc2cccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ HTT P42858 3/20 0.70
▸ MAPT P10636 1/20 0.70
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ POLB P06746 2/20 0.69
▸ HPGD P15428 2/20 0.69
▸ GLA P06280 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ GAA P10253 1/20 0.68
▸ MAPK1 P28482 1/20 0.65
▸ MMP13 P45452 1/20 0.64
▸ TRPV1 Q8NER1 1/20 0.64
▸ CA2 P00918 1/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ NAMPT P43490 1/20 0.62
▸ USP2 O75604 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL11629453 0.85 NAMPT (0.67) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL13102334 0.85 MMP13 (0.85) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL29437161 0.85 MMP13 (0.85) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL10076246 0.83 TRPV1 (0.74) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL6569317 0.83 LMNA (0.72) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL5257811 0.83 LMNA (0.72) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL1568226 0.83 ALDH1A1 (0.72) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL1161997 0.83 NAMPT (0.75) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL13483867 0.82 LMNA (1.00) LMNAALDH1A1HTTMAPTMEN1
SCHEMBL11630628 0.82 ALDH1A1 (0.76) LMNAALDH1A1HTTMAPTMEN1

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-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 — — US disclosed
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