SCHEMBL29795679

SCHEMBL29795679

CCCCNC(=O)n1cnc2cc(F)ccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 7/20 0.62
HPGD P15428 3/20 0.47
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL28794558 1.00 ASAH1 (0.62) ASAH1HPGDMAPK1KMT2ALMNA
SCHEMBL28794626 0.90 ASAH1 (0.62) ASAH1HPGDMAPK1KMT2ALMNA
SCHEMBL29795599 0.90 ASAH1 (0.62) ASAH1HPGDMAPK1KMT2ALMNA
SCHEMBL23122904 0.84 ASAH1 (0.59) ASAH1HPGDKMT2ALMNAMEN1
SCHEMBL23122514 0.83 ASAH1 (0.60) ASAH1HPGDKMT2ALMNAMEN1
Carbamic Acid SCHEMBL9589517 0.82 ASAH1 (0.59) ASAH1HPGDKMT2ALMNATP53
SCHEMBL10654951 0.82 ASAH1 (0.90) ASAH1HPGDKMT2A
SCHEMBL23123402 0.82 ASAH1 (0.56) ASAH1HPGDKMT2ALMNAMEN1
SCHEMBL29795660 0.81 ASAH1 (0.62) ASAH1LMNATP53
SCHEMBL28945618 0.81 ASAH1 (0.62) ASAH1LMNATP53

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