SCHEMBL28222883

SCHEMBL28222883

Nc1cc2ccccn2c1C(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 7/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MAPK1 P28482 7/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL321288 0.75 MAPT (0.75) POLBMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL9937249 0.72 MAPT (0.53) MAPTMAPK1MEN1KMT2AHTT
SCHEMBL11267717 0.71 MAPT (0.78) POLBMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL11185205 0.70 MAPT (0.56) POLBMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL30733931 0.69 MEN1 (0.41) POLBMAPTMAPK1MEN1KMT2A
SCHEMBL6218407 0.69 MAPT (0.60) POLBMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL11604911 0.69 MAPT (0.58) POLBMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL29140107 0.68 MEN1 (0.44) POLBMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL3897320 0.68 SMN1; SMN2 (0.55) POLBMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL10948187 0.67 KEAP1 (0.63) POLBMAPTMAPK1HTTLMNA

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
CN-104906103-B Casein kinase 1 δ (CK1 δ) inhibitor 电泳有限公司 2018-05-18 — — CN disclosed
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