SCHEMBL28665126

SCHEMBL28665126

Cc1c(C(=O)NCCCN2CCOCC2)c2cc(OCC(=O)NCc3ccc(F)cc3)ccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ HBB P68871 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL28673108 0.92 HSD17B10 (0.52) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL28680120 0.92 HSD17B10 (0.49) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL28667737 0.84 KMT2A (0.53) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL28683883 0.84 FKBP1A (0.53) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL28670860 0.83 KDM4E (0.51) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL28671863 0.80 HTT (0.52) ALDH1A1LMNAKDM4EKMT2A
SCHEMBL28667098 0.80 GAA (0.48) ALDH1A1LMNAKDM4EHPGDNPSR1
SCHEMBL28688994 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL28290888 0.77 RAB9A (0.47) ALDH1A1HSD17B10LMNAHPGDMAPK1
SCHEMBL28289454 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10LMNAKDM4EHPGD

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-109824574-B Indole-3-carboxamides and their use 沈阳药科大学 2021-12-28 — — CN disclosed
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