SCHEMBL11580802

SCHEMBL11580802

O=C1c2cccc(Cl)c2C(=O)c2c(Oc3cccc4ccccc34)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NSD2 O96028 1/20 0.43
ESRRA P11474 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
SCN9A Q15858 2/20 0.40
AR P10275 1/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
HPGD P15428 1/20 0.38
TYMP P19971 1/20 0.38

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
SCHEMBL11581930 0.96 ALDH1A1 (0.54) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL27644911 0.86 MAPT (0.59) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL4462792 0.86 ALDH1A1 (0.62) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL11581927 0.82 MAPT (0.44) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL11580446 0.81 ADORA2A (0.50) MAPTMEN1KMT2ANSD2KDM4E
SCHEMBL11580805 0.79 MAPT (0.51) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL11584406 0.78 ADORA2A (0.56) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL11580799 0.78 PABPC1 (0.45) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL11296482 0.76 ADORA2A (0.51) MAPTMEN1KMT2ASMN1; SMN2NSD2
SCHEMBL122441 0.76 NSD2 (0.62) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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-4126626-A DYES, POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed