SCHEMBL6893834

SCHEMBL6893834

CCCCc1cc(C)c2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DHODH Q02127 8/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
EIF4A1 P60842 5/20 0.47
PDE10A Q9Y233 1/20 0.45
TP53 P04637 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL13807710 0.83 KDM4E (0.41) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4602833 0.76 KDM4E (0.52) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL13793603 0.75 MCHR1 (0.51) MEN1KMT2ADHODHTP53
SCHEMBL7507266 0.72 KDM4E (0.70) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL42477 0.71 DHODH (0.81) KDM4EMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL29788461 0.71 DHODH (0.81) KDM4EMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL10355755 0.69 PPARA (0.59) KDM4E
SCHEMBL9867556 0.69 MEN1 (0.69) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL14398158 0.68 PPARA (0.69) SMN1; SMN2HSD17B10POLB
SCHEMBL9866680 0.67 KDM4E (0.58) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed