SCHEMBL7734231

SCHEMBL7734231

OCCCc1cc(Cl)cc2nc(Cc3ccccc3F)oc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.40
NPC1 O15118 9/20 0.40
PKM P14618 2/20 0.40
POLB P06746 1/20 0.35
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7734337 0.88 NLRP3 (0.36) SSTR2SSTR4SIRT2L3MBTL1
SCHEMBL7735189 0.86 GAA (0.36) RAB9ANPC1POLBKMT2ASIRT2
SCHEMBL7733875 0.85 LMNA (0.41) POLBKMT2ASIRT2HPGD
SCHEMBL7733878 0.84 RAB9A (0.43) RAB9ANPC1PKMPOLB
SCHEMBL7734700 0.84 NLRP3 (0.35) SSTR2SSTR4CYP1A2CYP2C9CYP2C19
SCHEMBL7734848 0.81 MAPT (0.38) KMT2ASIRT2ALDH1A1CYP1A2CYP2C9
SCHEMBL7734855 0.81 SIRT2 (0.34) KMT2ASIRT2
SCHEMBL7734093 0.81 SIRT2 (0.37) RAB9ANPC1SSTR2SSTR4KMT2A
SCHEMBL7735795 0.81 MAPT (0.45) RAB9APOLBKMT2ASIRT2ALDH1A1
SCHEMBL7735662 0.81 NPC1 (0.42) RAB9ANPC1PKMKMT2A

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