SCHEMBL14933672

SCHEMBL14933672

O=C1Nc2ccccc2N[C@@H]1Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.52
ALDH1A1 P00352 11/20 0.52
MAPT P10636 7/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 3/20 0.52
ALOX15 P16050 3/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 5/20 0.50
HSD17B10 Q99714 6/20 0.49
TAAR1 Q96RJ0 1/20 0.48
GSK3B P49841 1/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
BRPF1 P55201 1/20 0.45
CREBBP Q92793 1/20 0.45

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
SCHEMBL6037887 0.87 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6037889 0.87 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10326494 0.87 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10327190 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17676996 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10326670 0.84 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10327014 0.84 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17676997 0.84 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10326975 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL25309402 0.82 GAA (0.56) GAACXCR4HDAC8

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-2013066838-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed