SCHEMBL9866680

SCHEMBL9866680

COc1ccc(-c2cc(C(=O)O)c3cc(C)c(NC(C)=O)cc3n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
DHODH Q02127 11/20 0.56
ADORA3 P0DMS8 2/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
PDE10A Q9Y233 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL10440013 0.87 ADORA3 (0.52) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7507266 0.80 KDM4E (0.70) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL29788461 0.77 DHODH (0.81) KDM4EMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL42477 0.77 DHODH (0.81) KDM4EMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL9867556 0.77 MEN1 (0.69) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL8231325 0.75 DHODH (0.64) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL5532004 0.74 KDM4E (0.69) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL8240361 0.73 DHODH (0.70) KDM4EMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL4602311 0.73 KDM4E (0.62) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL8614290 0.72 PDE10A (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071987-A Quinoline dyes; colorfastness BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed