SCHEMBL10400677

SCHEMBL10400677

C=CCc1cccc2[nH]c(NC(=O)O)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.45
▸ ADORA2A P29274 3/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3415541 0.85 MAOB (0.50) MAOBADORA2AADORA2BADORA1ALDH1A1
SCHEMBL3658175 0.80 CNR2 (0.40) MAPK1LMNANPC1RAB9AKDM4E
SCHEMBL3413861 0.76 HPSE (0.55) MAOBADORA2AADORA2BADORA1ALDH1A1
SCHEMBL3660175 0.76 GABRA1 (0.46) ALDH1A1HSD17B10MAPK1LMNANPC1
Hydrochloric Acid SCHEMBL11576683 0.75 HPSE (0.53) MAOBADORA2AADORA2BADORA1ALDH1A1
SCHEMBL2163311 0.74 MAPT (0.40) MAPK1LMNANPC1RAB9AHTT
SCHEMBL1984812 0.73 L3MBTL1 (0.48) ALDH1A1HSD17B10MAPK1LMNANPC1
SCHEMBL4364877 0.73 ADORA2A (0.50) MAOBADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1075197 0.73 NUDT1 (0.44) ALDH1A1MAPK1LMNANPC1RAB9A
SCHEMBL11853656 0.71 PKN1 (0.37) ALDH1A1MAPK1LMNANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900736-A Salts of alkyl-2-benzimidazole-carbamate and fungicidal compositions thereof suitable for paints and plaster SCHULKE MAYR, GMBH (DE) 1990-02-13 — — US disclosed
US-4770705-A Salts of alkyl-2-benzimidazole-carbamate and fungicidal compositions thereof suitable for paints and plaster SCHULKE & MAYR GMBH (DE) 1988-09-13 — — US disclosed
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