SCHEMBL10529171

SCHEMBL10529171

Cc1cccc(C(=O)CN2C=CN(C)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 3/20 0.43
▸ WNT3A P56704 3/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALDH3A1 P30838 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 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
SCHEMBL30278566 1.00 CTNNB1 (0.43) CTNNB1WNT3APARP1HPGDALDH1A1
Bromide SCHEMBL10528581 0.99 CTNNB1 (0.42) CTNNB1WNT3APARP1HPGDALDH1A1
Phosphoric Acid SCHEMBL10864885 0.95 HPGD (0.40) CTNNB1WNT3APARP1HPGDALDH1A1
SCHEMBL28841334 0.84 CXCR3 (0.50) PARP1HPGDALDH1A1SLC6A2SLC6A4
SCHEMBL29794039 0.84 CXCR3 (0.50) PARP1HPGDALDH1A1SLC6A2SLC6A4
Iodide SCHEMBL27281690 0.84 TPMT (0.36) HPGDALDH1A1GRIN2BMEN1MAPT
SCHEMBL28841390 0.83 ALDH1A1 (0.44) HPGDALDH1A1SLC6A4SLC6A3TDP1
SCHEMBL10531109 0.82 MAPT (0.51) CTNNB1WNT3APARP1HPGDALDH1A1
Hydrochloric Acid SCHEMBL10526726 0.82 KMT2A (0.43) HPGDALDH1A1SLC6A4SLC6A3TDP1
SCHEMBL10531146 0.82 KMT2A (0.50) ALDH1A1GRIN2BHDAC6L3MBTL1KDM4E

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-0182533-B1 3-(2-ARYL-2-OXOETHYL)-IMIDAZOLIUM SALTS AS HYPOGLYCEMIC AGENTS ELI LILLY AND COMPANY (US) 1989-09-20 — — EP claimed
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