SCHEMBL7923403

SCHEMBL7923403

Cc1cc(O)cc(CNc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
HIF1A Q16665 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
THRB P10828 2/20 0.50
BLM P54132 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
PLEC Q15149 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL28606837 0.87 HTT (0.62) HTTHIF1AMAPTMEN1KMT2A
SCHEMBL8059082 0.79 HTT (0.53) HTTHIF1AMAPTMEN1KMT2A
SCHEMBL10054997 0.77 HTT (0.56) HTTHIF1AMAPTMEN1KMT2A
SCHEMBL4699374 0.77 HIF1A (0.77) HIF1AMAPTMEN1KMT2AKDM4E
SCHEMBL11831264 0.77 HTT (0.63) HTTHIF1AMAPTHPGDCYP1A2
SCHEMBL15249340 0.77 AR (0.51) HTTMAPTMEN1KMT2AHPGD
SCHEMBL13252936 0.74 LTA4H (0.52) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL1624682 0.74 HTT (0.84) HTTMAPTMEN1KMT2AHPGD
SCHEMBL10184604 0.74 MEN1 (0.60) HIF1AMAPTMEN1KMT2AHPGD
SCHEMBL6556036 0.74 HIF1A (0.74) HTTHIF1AMAPTMEN1KMT2A

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-6221877-B1 IN PARTICULAR BOVINE TRICHOMONIASIS AND GIARDIASIS REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-04-24 US disclosed