SCHEMBL21865387

SCHEMBL21865387

CCN(CCNc1cc(Cl)ccc1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.43
PTGES O14684 1/20 0.41
AHCY P23526 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
GRIK1 P39086 5/20 0.38
KCNK2 O95069 1/20 0.37
TRPM4 Q8TD43 1/20 0.37
USP2 O75604 1/20 0.37
PABPC1 P11940 1/20 0.37
METAP2 P50579 1/20 0.37

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
SCHEMBL21865562 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EAHCY
SCHEMBL21865673 0.83 AHCY (0.40) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21865672 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EAHCY
SCHEMBL29835255 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EAHCY
SCHEMBL29835216 0.82 MAPT (0.50) ALDH1A1SMN1; SMN2AHCYMAPTHTT
SCHEMBL21865570 0.79 AHCY (0.40) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL15635741 0.75 KDM4E (0.63) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6113658 0.74 KDM4E (0.58) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL28371791 0.72 CYP3A4 (0.44) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21865558 0.72 ABL1 (0.40) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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
WO-2020052509-A1 SULFONAMIDE COMPOUND SERVING AS SODIUM CHANNEL BLOCKER AND USES THEREOF 成都康弘药业集团股份有限公司 2020-03-19 WO disclosed