SCHEMBL11629453

SCHEMBL11629453

O=C(NCc1cccnc1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.67
▸ LMNA P02545 3/20 0.64
▸ HTT P42858 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ MAPT P10636 1/20 0.64
▸ POLB P06746 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ GLA P06280 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ GAA P10253 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ MAPK1 P28482 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ MMP13 P45452 1/20 0.59
▸ TRPV1 Q8NER1 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ROCK2 O75116 1/20 0.59
▸ RPS6KA5 O75582 1/20 0.59

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
SCHEMBL1161997 0.87 NAMPT (0.75) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL11623955 0.85 LMNA (0.70) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL2984197 0.85 NAMPT (0.72) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL5257811 0.82 LMNA (0.72) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL6569317 0.82 LMNA (0.72) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL1568226 0.82 ALDH1A1 (0.72) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL16286298 0.82 MEN1 (0.81) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL11629830 0.82 NAMPT (0.67) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL11632041 0.82 MMP13 (0.81) NAMPTLMNAHTTALDH1A1MAPT
SCHEMBL11629829 0.82 NAMPT (0.67) NAMPTLMNAHTTALDH1A1MAPT

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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