SCHEMBL11628844

SCHEMBL11628844

CC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ LMNA P02545 4/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ KMT2A Q03164 3/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ MAPT P10636 2/20 0.68
▸ GAA P10253 1/20 0.67
▸ MAPK1 P28482 1/20 0.64
▸ MMP13 P45452 1/20 0.62
▸ TRPV1 Q8NER1 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ NAMPT P43490 1/20 0.62
▸ NCOA1 Q15788 1/20 0.62
▸ NCOA3 Q9Y6Q9 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ TSHR P16473 1/20 0.61

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
SCHEMBL24975354 0.88 HTT (0.77) HTTALDH1A1LMNANPSR1KMT2A
SCHEMBL16286298 0.87 MEN1 (0.81) HTTALDH1A1LMNANPSR1KMT2A
SCHEMBL11630628 0.86 ALDH1A1 (0.76) HTTALDH1A1LMNANPSR1KMT2A
SCHEMBL16286312 0.86 ALDH1A1 (0.76) HTTALDH1A1LMNANPSR1KMT2A
SCHEMBL12334898 0.85 NAMPT (0.80) HTTALDH1A1LMNANPSR1KMT2A
SCHEMBL29996180 0.84 HTT (0.72) HTTALDH1A1LMNANPSR1KMT2A
SCHEMBL23063861 0.84 HTT (0.72) HTTALDH1A1LMNANPSR1KMT2A
SCHEMBL13102334 0.83 MMP13 (0.85) HTTALDH1A1LMNAKMT2AMAPT
SCHEMBL29437161 0.83 MMP13 (0.85) HTTALDH1A1LMNAKMT2AMAPT
SCHEMBL10076246 0.82 TRPV1 (0.74) HTTALDH1A1LMNANPSR1KMT2A

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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