SCHEMBL25152806

SCHEMBL25152806

CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.75
DUSP3 P51452 1/20 0.59
TNFRSF1A P19438 1/20 0.58
RXRA P19793 1/20 0.57
MAPT P10636 2/20 0.56
APEX1 P27695 1/20 0.56
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
STAT3 P40763 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1AN Q9NWT6 1/20 0.51
EP300 Q09472 1/20 0.50
CREBBP Q92793 1/20 0.50

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
SCHEMBL3897009 0.89 MAP3K5 (0.87) MAP3K5DUSP3MAPTAPEX1MEN1
SCHEMBL3897012 0.89 MAP3K5 (0.87) MAP3K5DUSP3MAPTAPEX1MEN1
SCHEMBL3490464 0.88 MAPT (0.71) MAP3K5DUSP3TNFRSF1ARXRAMAPT
SCHEMBL25151938 0.88 STAT3 (0.61) MAP3K5TNFRSF1AMAPTPOLBALDH1A1
SCHEMBL3490465 0.88 MAPT (0.71) MAP3K5DUSP3TNFRSF1ARXRAMAPT
SCHEMBL3908073 0.88 MAP3K5 (0.69) MAP3K5DUSP3TNFRSF1ARXRAMAPT
SCHEMBL3908078 0.88 MAP3K5 (0.69) MAP3K5DUSP3TNFRSF1ARXRAMAPT
SCHEMBL25152930 0.87 MAP3K5 (0.62) MAP3K5DUSP3TNFRSF1AMAPTAPEX1
SCHEMBL3897422 0.87 MAP3K5 (0.78) MAP3K5MAPTAPEX1POLBALDH1A1
SCHEMBL3890923 0.87 MAP3K5 (0.70) MAP3K5DUSP3TNFRSF1ARXRAMAPT

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-2023064368-A1 NOVEL RHODANINE DERIVATIVES AND USES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-04-20 WO disclosed