SCHEMBL11629830

SCHEMBL11629830

O=C(NCc1cccnc1)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.67
▸ LMNA P02545 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ HTT P42858 3/20 0.64
▸ MAPT P10636 1/20 0.64
▸ GAA P10253 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ MAPK1 P28482 1/20 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
▸ POLB P06746 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TSHR P16473 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL11629829 1.00 NAMPT (0.67) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL1161997 0.87 NAMPT (0.75) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL2984197 0.85 NAMPT (0.72) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL6569317 0.82 LMNA (0.72) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL5257811 0.82 LMNA (0.72) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL1568226 0.82 ALDH1A1 (0.72) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL16286298 0.82 MEN1 (0.81) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL11629453 0.82 NAMPT (0.67) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL11632041 0.82 MMP13 (0.81) NAMPTLMNAALDH1A1HTTMAPT
SCHEMBL13102334 0.81 MMP13 (0.85) NAMPTLMNAALDH1A1HTTMAPT

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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