SCHEMBL28337548

SCHEMBL28337548

N#CC(Cc1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 8/20 0.51
▸ MAPK10 P53779 8/20 0.51
▸ HPGD P15428 4/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ PKM P14618 1/20 0.44
▸ MAPK8 P45983 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 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
SCHEMBL11514240 0.83 MAPK9 (0.52) MAPK9MAPK10HPGDLOXL2CYP1A2
SCHEMBL7829657 0.74 SMN1; SMN2 (0.51) MAPK9MAPK10HPGDLOXL2PKM
SCHEMBL7400010 0.74 HPGD (0.59) MAPK9MAPK10HPGDLOXL2MAPK8
SCHEMBL11515131 0.73 MAPK9 (0.55) MAPK9MAPK10HPGDLOXL2CYP1A2
SCHEMBL11516409 0.73 LOXL2 (0.57) MAPK9MAPK10HPGDLOXL2CYP1A2
SCHEMBL11848949 0.73 LOXL2 (0.49) MAPK9MAPK10HPGDLOXL2CYP1A2
SCHEMBL14151344 0.73 NPC1 (0.53) MAPK9MAPK10HPGDLOXL2PKM
SCHEMBL56063 0.71 ESR2 (0.60) CYP1A2CYP2C9CYP2C19MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7347434 0.71 HPGD (0.52) MAPK9MAPK10HPGDLOXL2PKM
Hydrochloric Acid SCHEMBL6356550 0.71 HPGD (0.52) MAPK9MAPK10HPGDLOXL2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590701-B Benzothiazole-phenethyl cyanide compound and preparation method and application thereof 衡阳师范学院 2023-03-28 — — CN claimed
CN-110590701-A Benzothiazole-phenethyl cyanide compound and preparation method and application thereof 衡阳师范学院 2019-12-20 — — CN claimed
CN-110590701-B Benzothiazole-phenethyl cyanide compound and preparation method and application thereof 衡阳师范学院 2023-03-28 — — CN disclosed
CN-110590701-B Benzothiazole-phenethyl cyanide compound and preparation method and application thereof 衡阳师范学院 2023-03-28 — — CN disclosed
CN-110590701-B Benzothiazole-phenethyl cyanide compound and preparation method and application thereof 衡阳师范学院 2023-03-28 — — CN disclosed
CN-110590701-A Benzothiazole-phenethyl cyanide compound and preparation method and application thereof 衡阳师范学院 2019-12-20 — — CN disclosed
CN-110590701-A Benzothiazole-phenethyl cyanide compound and preparation method and application thereof 衡阳师范学院 2019-12-20 — — CN disclosed
CN-110590701-A Benzothiazole-phenethyl cyanide compound and preparation method and application thereof 衡阳师范学院 2019-12-20 — — CN disclosed
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