SCHEMBL29795387

SCHEMBL29795387

O=C(NCCOCc1ccccc1)n1cnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 9/20 0.67
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AGER Q15109 1/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
KMT2A Q03164 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
SCHEMBL28945626 1.00 ASAH1 (0.67) ASAH1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL28794759 0.84 ASAH1 (0.64) ASAH1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL29795566 0.84 ASAH1 (0.64) ASAH1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL23122842 0.83 ASAH1 (0.83) ASAH1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL29795449 0.83 ASAH1 (0.83) ASAH1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL29795398 0.81 ASAH1 (0.93) ASAH1SMN1; SMN2LMNAL3MBTL1MAPK1
SCHEMBL28794797 0.81 ASAH1 (0.93) ASAH1SMN1; SMN2LMNAL3MBTL1MAPK1
SCHEMBL29795580 0.80 ASAH1 (1.00) ASAH1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL29795462 0.80 ASAH1 (0.64) ASAH1SMN1; SMN2KMT2A
SCHEMBL29795633 0.80 ASAH1 (1.00) ASAH1

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