SCHEMBL19985162

SCHEMBL19985162

C=CNc1ccc(C(=C)CSCCCCCCC)cc1CC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.35
PLK1 P53350 4/20 0.35
CES2 O00748 3/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
THRA P10827 6/20 0.33
FAAH O00519 4/20 0.33
CES1 P23141 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G6 O60733 1/20 0.33
PLA2G4B P0C869 1/20 0.31

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
SCHEMBL29191780 0.71 MGLL (0.48) THRBCES2GMNNTP53POLB
SCHEMBL17424798 0.70 GMNN (0.49) THRBPLK1CES2GMNNTP53
SCHEMBL22869142 0.69 THRB (0.44) THRBPLK1CYP2C9HSD17B10THRA
SCHEMBL29191779 0.68 PLA2G4B (0.41) THRBCES2GMNNTP53POLB
SCHEMBL22907692 0.65 ESR1 (0.36) THRBCES2GMNNTP53POLB
SCHEMBL23953303 0.65 CYP1A2 (0.39) MAPTCYP2C9MEN1KMT2A
SCHEMBL7892788 0.63 PTGS2 (0.41) THRBCES2GMNNTP53POLB
SCHEMBL14463212 0.62 MAPT (0.40) THRBCES2GMNNTP53POLB
SCHEMBL17399693 0.60 HSD17B3 (0.63) THRBCES2GMNNTP53POLB
SCHEMBL23009130 0.59 TYR (0.56) TP53MAPTCYP2C9HSD17B10ESR1

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-2944310-B1 MIF inhibitors for the acute or chronic treatment of pulmonary hypertension MIFCARE (FR) 2018-03-21 EP disclosed