SCHEMBL28667737

SCHEMBL28667737

CCn1c(C)c(C(=O)NCCCN2CCOCC2)c2cc(OCC(=O)NCc3ccccc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MAPK1 P28482 3/20 0.48
▸ HBB P68871 1/20 0.47
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL28680120 0.93 HSD17B10 (0.49) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL28673108 0.92 HSD17B10 (0.52) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL28680108 0.86 HSD17B10 (0.49) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL28665126 0.84 ALDH1A1 (0.51) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL28683888 0.83 SMN1; SMN2 (0.50) KMT2AKDM4EALDH1A1HPGDPOLB
SCHEMBL28680979 0.80 MEN1 (0.47) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL28667719 0.80 ALDH1A1 (0.57) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL28290889 0.79 KMT2A (0.62) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL28667095 0.79 KMT2A (0.59) KMT2AALDH1A1LMNAMEN1
SCHEMBL28670869 0.77 KMT2A (0.52) KMT2AKDM4EALDH1A1HPGDPOLB

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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