SCHEMBL10567385

SCHEMBL10567385

Cc1c(Cl)cc(Cl)cc1C=NO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
TSHR P16473 4/20 0.44
GAA P10253 2/20 0.40
ALDH1A1 P00352 8/20 0.40
MAPT P10636 7/20 0.40
ERN1 O75460 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 3/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CG P48736 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL3085648 0.79 ALDH1A1 (0.46) HPGDTSHRGAAALDH1A1MAPT
SCHEMBL3085646 0.79 ALDH1A1 (0.46) HPGDTSHRGAAALDH1A1MAPT
SCHEMBL6450098 0.78 ERN1 (0.59) HPGDTSHRGAAALDH1A1MAPT
SCHEMBL6450101 0.78 ERN1 (0.59) HPGDTSHRGAAALDH1A1MAPT
SCHEMBL28374737 0.75 PTGS2 (0.38) HPGDTSHRGAAALDH1A1MAPT
SCHEMBL4808231 0.72 ERN1 (0.57) HPGDTSHRGAAALDH1A1MAPT
SCHEMBL17064025 0.72 ALDH1A1 (0.46) HPGDGAAALDH1A1MAPTMEN1
SCHEMBL17064023 0.72 ALDH1A1 (0.46) HPGDGAAALDH1A1MAPTMEN1
SCHEMBL28153812 0.72 ALDH1A1 (0.42) HPGDTSHRALDH1A1MAPTERN1
SCHEMBL19216538 0.72 ALDH1A1 (0.42) HPGDTSHRALDH1A1MAPTERN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4810811-A CHEMICAL INTERMEDIATES SMITHKLINE BECKMAN CORPORATION (US) 1989-03-07 US disclosed
US-4707488-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed