SCHEMBL12836876

SCHEMBL12836876

C=C(C)n1cc(C(=O)O)c(=O)c2ccc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ABCC4 O15439 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16469269 0.83 LMNA (0.49) LMNAMEN1KMT2AABCC4PKM
SCHEMBL10672670 0.77 LMNA (0.46) LMNAMEN1KMT2AABCC4PKM
SCHEMBL11715638 0.77 LMNA (0.43) LMNAMEN1KMT2AABCC4PKM
SCHEMBL4172164 0.77 LMNA (0.74) LMNAMEN1KMT2AABCC4PKM
SCHEMBL7578567 0.74 KDM4E (0.48) LMNAMEN1KMT2AABCC4PKM
SCHEMBL26979235 0.73 KMT2A (0.37) LMNAMEN1KMT2AABCC4PKM
SCHEMBL18306040 0.73 LMNA (0.41) LMNAMEN1KMT2AABCC4PKM
SCHEMBL18305929 0.73 TSHR (0.42) LMNAMEN1KMT2AABCC4PKM
SCHEMBL7841138 0.72 LMNA (0.49) LMNAMEN1KMT2AABCC4PKM
SCHEMBL18313140 0.71 SMN1; SMN2 (0.42) LMNAMEN1KMT2ATSHRTP53

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-2011028979-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION SUNESIS PHARMACEUTICALS, INC. (US) 2011-03-10 WO disclosed