SCHEMBL7737446

SCHEMBL7737446

OCC#Cc1cc(Cl)cc2nc(Cc3c(Cl)cccc3Cl)oc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7724872 0.92 GAA (0.36) PGK1ALDH1A1TAAR1MEN1KMT2A
SCHEMBL7733881 0.87 NLRP3 (0.36) PGK1AKR1B1ALDH1A1
SCHEMBL7735654 0.86 NPC1 (0.42) MEN1KMT2A
SCHEMBL7737473 0.86 MEN1 (0.39) AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL7737540 0.84 MAPT (0.44) PGK1ALDH1A1MEN1KMT2A
SCHEMBL7724886 0.84 SMN1; SMN2 (0.35) PGK1AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL7734791 0.82 RAB9A (0.39) AKR1B1ALDH1A1KMT2A
SCHEMBL7734319 0.81 AKR1B1 (0.34) PGK1AKR1B1ALDH1A1TAAR1MEN1
SCHEMBL7735204 0.78 PGK1 (0.38) PGK1AKR1B1ALDH1A1
SCHEMBL7734760 0.77 MAPT (0.42) ALDH1A1MEN1KMT2A

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