SCHEMBL19255596

SCHEMBL19255596

CN(C)Sc1cc(Br)ccn1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL30975876 0.77
SCHEMBL4013579 0.77
SCHEMBL5700357 0.72 LMNA (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL24706910 0.72 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL30080735 0.68 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL786015 0.68 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL24758436 0.68 SSTR4 (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL28593937 0.67 EHMT2 (0.65) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4175402 0.64 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL29457472 0.64

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
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
WO-2017136870-A9 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
WO-2017136870-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 WO disclosed