SCHEMBL28867429

SCHEMBL28867429

CC1CN(CC2CCN(c3c(F)cccc3NS(=O)(=O)c3cc[c]cc3)CC2)CC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
KMO O15229 1/20 0.33
CXCR2 P25025 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GHSR Q92847 3/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
POLB P06746 1/20 0.32
CACNA1H O95180 1/20 0.32

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
SCHEMBL29932095 0.93 LMNA (0.40) MCOLN2KMT2AKDM4ELMNAKDM4C
SCHEMBL23555092 0.91 MCOLN2 (0.36) MCOLN2KMT2AKDM4ELMNAKMO
SCHEMBL29932183 0.89 ALDH1A1 (0.41) MCOLN2KMT2AKDM4ELMNARXFP1
SCHEMBL23536204 0.89 ALDH1A1 (0.41) MCOLN2KMT2AKDM4ELMNARXFP1
SCHEMBL23536479 0.89 MCOLN2 (0.48) MCOLN2KMT2AKDM4ELMNAKMO
SCHEMBL23536230 0.87 MCOLN2 (0.39) MCOLN2KMT2AKDM4ELMNAKMO
SCHEMBL29931978 0.86 CRHBP (0.34) MCOLN2KMT2ALMNAKMOCXCR2
SCHEMBL23555120 0.86 MCOLN2 (0.37) MCOLN2KMT2AKMOCXCR2GHSR
SCHEMBL23536384 0.86 CRHBP (0.34) MCOLN2KMT2ALMNAKMOCXCR2
SCHEMBL29932066 0.83 ALDH1A1 (0.38) KMT2AKDM4ELMNACXCR2MEN1

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-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed