SCHEMBL29795663

SCHEMBL29795663

CCCCCNC(=O)n1cnc2ccccc21

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 14/20 0.97
NAMPT P43490 2/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL10654951 0.96 ASAH1 (0.90) ASAH1ALDH1A1TSHRNPC1MAPT
Carbamic Acid SCHEMBL11116536 0.91 ASAH1 (0.81) ASAH1ALDH1A1TSHRNPC1MAPT
SCHEMBL3051146 0.90 ASAH1 (0.80) ASAH1ALDH1A1TSHRNPC1MAPT
Benzimidazole SCHEMBL10923154 0.85 ASAH1 (0.71) ASAH1ALDH1A1TSHRNPC1MAPT
SCHEMBL29795633 0.84 ASAH1 (1.00) ASAH1NAMPT
SCHEMBL28945621 0.84 ASAH1 (1.00) ASAH1NAMPT
SCHEMBL3834799 0.84 ASAH1 (0.70) ASAH1ALDH1A1TSHRNPC1MAPT
SCHEMBL13897309 0.83 ASAH1 (0.70) ASAH1ALDH1A1TSHRNPC1MAPT
SCHEMBL29795398 0.83 ASAH1 (0.93) ASAH1NAMPT
SCHEMBL28794797 0.83 ASAH1 (0.93) ASAH1NAMPT

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-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed