SCHEMBL20009402

SCHEMBL20009402

C=N/C=C(\C=C/CCSC)c1cc(C)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL18432558 0.82 MEN1 (0.36) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL22561885 0.67 GABRA1 (0.38) MEN1KMT2ACYP2D6
SCHEMBL20009414 0.65 MEN1 (0.33) MEN1KMT2A
SCHEMBL22562067 0.62 CYP2D6 (0.40) CYP2D6
SCHEMBL24080244 0.59 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL17059003 0.59 MEN1 (0.59) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL23654930 0.58 MEN1 (0.36) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL21507836 0.57 MEN1 (0.35) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL11024692 0.57 NFE2L2 (0.54) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL11024683 0.57 NFE2L2 (0.54) MEN1KMT2AKDM4EALDH1A1TSHR

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed