SCHEMBL4284885

SCHEMBL4284885

Oc1ccccc1-c1cc(Cl)c[c]c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
BCL2L1 Q07817 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALOX15 P16050 3/20 0.36
NFKB1 P19838 2/20 0.36
ALOX12 P18054 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAOA P21397 1/20 0.35
IDO1 P14902 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL2224522 0.77 MAPK1 (0.39) HPGDALDH1A1HSD17B10KMT2ANPC1
SCHEMBL17916235 0.75 HSP90AA1 (0.56) HPGDALDH1A1HSD17B10HSP90AA1HSP90AB1
SCHEMBL9616143 0.74 ALDH1A1 (0.46) HPGDALDH1A1HSD17B10BCL2L1HSP90AA1
SCHEMBL9784010 0.73 NOTUM (0.37) MAOAIDO1BLMPMP22TSHR
SCHEMBL28988268 0.71 ALDH1A1 (0.50) HPGDALDH1A1HSD17B10BCL2L1KMT2A
SCHEMBL28574 0.71 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10BCL2L1KMT2A
SCHEMBL30442890 0.71 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10BCL2L1KMT2A
SCHEMBL29623192 0.71 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10BCL2L1KMT2A
SCHEMBL27659427 0.71 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10BCL2L1KMT2A
SCHEMBL4284888 0.70 HSD17B1 (0.45) ALDH1A1HSD17B10ESR2LMNACA12

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-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed