SCHEMBL7737540

SCHEMBL7737540

OCC#Cc1cc(Cl)cc2nc(Cc3ccc(Cl)cc3)oc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 5/20 0.37
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
STAT3 P40763 1/20 0.34
PGK1 P00558 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL7737473 0.92 MEN1 (0.39) MAPTPOLBKMT2ALMNATSHR
SCHEMBL7735654 0.87 NPC1 (0.42) MAPTKMT2ALMNAMEN1TP53
SCHEMBL7734760 0.85 MAPT (0.42) MAPTPOLBKMT2ALMNATSHR
SCHEMBL7724886 0.85 SMN1; SMN2 (0.35) MAPTKMT2ALMNAUSP2L3MBTL1
SCHEMBL7737446 0.84 PGK1 (0.35) KMT2AMEN1ALDH1A1PGK1
SCHEMBL7733881 0.83 NLRP3 (0.36) MAPTLMNATSHRL3MBTL1KDM4E
SCHEMBL7679979 0.82 DHFR (0.34) MAPTKMT2ALMNATSHRMEN1
SCHEMBL7734791 0.81 RAB9A (0.39) POLBKMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL7724872 0.80 GAA (0.36) MAPTPOLBKMT2AL3MBTL1MEN1
SCHEMBL7734319 0.78 AKR1B1 (0.34) MAPTKMT2ATSHRL3MBTL1MEN1

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed