SCHEMBL28030136

SCHEMBL28030136

CC(C=O)N1CCCC(=Cc2cccc(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 5/20 0.43
▸ CHRNB2 P17787 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ IKBKB O14920 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ XDH P47989 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ STAT1 P42224 1/20 0.33

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
SCHEMBL28030135 0.84 CHRNB2 (0.46) NFE2L2CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL13738962 0.75 NFE2L2 (0.45) NFE2L2SLC6A3IKBKBFGFR1PIM1
SCHEMBL13832851 0.75 NFE2L2 (0.45) NFE2L2IKBKBFGFR1ALDH1A1NPC1
SCHEMBL13740585 0.75 NFE2L2 (0.45) NFE2L2IKBKBFGFR1ALDH1A1NPC1
SCHEMBL13740586 0.75 NFE2L2 (0.45) NFE2L2IKBKBFGFR1ALDH1A1NPC1
SCHEMBL13738308 0.73 NFE2L2 (0.46) NFE2L2IKBKBFGFR1PIM1PIM2
SCHEMBL15608176 0.73 NFE2L2 (0.46) NFE2L2IKBKBFGFR1PIM1PIM2
SCHEMBL17684419 0.72 NFE2L2 (0.64) NFE2L2IKBKBFGFR1PIM1PIM2
SCHEMBL17684311 0.72 NFE2L2 (0.59) NFE2L2IKBKBFGFR1PIM1PIM2
SCHEMBL17684917 0.70 NFE2L2 (0.57) NFE2L2IKBKBFGFR1PIM1PIM2

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-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 — — CN disclosed
CN-103764641-B The tricyclic compound of fractional saturation and preparation and application thereof 扎夫根股份有限公司 2016-10-26 — — CN disclosed
CN-104918615-A Methods of treating liver diseases ZAFGEN INC 2015-09-16 — — CN disclosed
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