SCHEMBL10531091

SCHEMBL10531091

Cc1ccccc1C(=O)CN1C=CN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ HTT P42858 1/20 0.40
▸ CHRM1 P11229 3/20 0.39
▸ CTNNB1 P35222 5/20 0.39
▸ WNT3A P56704 5/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL29794018 1.00 ERCC5 (0.44) ERCC5FEN1HTTCHRM1CTNNB1
Bromide SCHEMBL10529228 0.98 ERCC5 (0.43) ERCC5FEN1HTTCHRM1CTNNB1
SCHEMBL28841331 0.85 KMT2A (0.55) ERCC5FEN1HTTCTNNB1WNT3A
SCHEMBL10526766 0.82 NPC1 (0.47) HTTKMT2A
Iodide SCHEMBL10529421 0.82 ALDH1A1 (0.33) HTTKMT2A
SCHEMBL28841440 0.81 ALDH1A1 (0.49) HTTKMT2A
SCHEMBL28841411 0.81 NPC1 (0.48) HTTCTNNB1WNT3AKMT2A
SCHEMBL28841390 0.80 ALDH1A1 (0.44) KMT2ASLC6A4SLC6A3
Bromide SCHEMBL3845509 0.78 NPC1 (0.46) KMT2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10526726 0.78 KMT2A (0.43) KMT2ASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 — — CN claimed
EP-0182533-B1 3-(2-ARYL-2-OXOETHYL)-IMIDAZOLIUM SALTS AS HYPOGLYCEMIC AGENTS ELI LILLY AND COMPANY (US) 1989-09-20 — — EP claimed
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 — — CN disclosed
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