SCHEMBL8538198

SCHEMBL8538198

C=CC(=C(C(=O)O)c1ccccc1)c1cccc(NC=NN)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 1/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8542579 0.86 CA1 (0.39) CA1CA2CA4MEN1KMT2A
SCHEMBL8542659 0.84 CA1 (0.38) CA1CA2CA4MEN1KMT2A
SCHEMBL8539554 0.81 CA1 (0.38) CA1CA2CA4MEN1KMT2A
SCHEMBL8542600 0.79 ERCC5 (0.41) CA1CA2CA4MEN1KMT2A
SCHEMBL8537256 0.78 L3MBTL1 (0.40) CA1CA2CA4MEN1KMT2A
SCHEMBL6777725 0.78 RAB9A (0.50) CA1CA2MEN1KMT2AMAPT
SCHEMBL8538404 0.78 SMN1; SMN2 (0.40) CA1CA2CA4MEN1KMT2A
SCHEMBL8542777 0.77 CA1 (0.44) CA1CA2CA4MEN1KMT2A
SCHEMBL8543794 0.76 CA1 (0.35) CA1CA2CA4MEN1KMT2A
SCHEMBL8538221 0.76 CA1 (0.35) CA1CA2CA4MEN1KMT2A

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
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed