SCHEMBL29795669

SCHEMBL29795669

Cc1nc2ccccc2n1C(=O)NCCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 10/20 0.84
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL28794572 1.00 ASAH1 (0.84) ASAH1POLBL3MBTL1LMNATSHR
SCHEMBL28945612 0.84 ASAH1 (0.87) ASAH1POLBL3MBTL1LMNATSHR
SCHEMBL29795635 0.84 ASAH1 (0.87) ASAH1POLBL3MBTL1LMNATSHR
SCHEMBL7639089 0.83 ASAH1 (0.73) ASAH1LMNATSHRHTTALDH1A1
SCHEMBL29795450 0.82 ASAH1 (0.69) ASAH1POLBL3MBTL1LMNATSHR
SCHEMBL28794854 0.82 ASAH1 (0.69) ASAH1POLBL3MBTL1LMNATSHR
Carbamic Acid SCHEMBL3114700 0.81 ASAH1 (0.71) ASAH1LMNATSHRHTTALDH1A1
SCHEMBL28794661 0.81 ASAH1 (0.67) ASAH1POLBL3MBTL1LMNATSHR
SCHEMBL28794855 0.81 ASAH1 (0.67) ASAH1POLBL3MBTL1LMNATSHR
SCHEMBL29795565 0.80 ASAH1 (0.70) ASAH1POLBL3MBTL1LMNATSHR

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