SCHEMBL8529216

SCHEMBL8529216

c1ccc(COc2ccnc(Oc3ccccc3)c2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ABCB1 P08183 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL7720531 0.87 LTA4H (0.49) ALDH1A1LTA4HMAPK14L3MBTL1ABCB1
SCHEMBL9824302 0.81 LTA4H (0.58) MEN1KMT2ANPC1RAB9AATM
SCHEMBL19612425 0.77 MAPT (0.55) LTA4HMAPK14L3MBTL1ABCB1MAPT
SCHEMBL19612273 0.76 MAPT (0.58) LTA4HMAPK14L3MBTL1ABCB1CYP1A2
SCHEMBL4891532 0.76 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4898749 0.76 L3MBTL1 (0.53) LTA4HMAPK14L3MBTL1ABCB1MAPT
SCHEMBL5408533 0.75 ALDH1A1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4898090 0.73 LTA4H (0.45) KMT2ALTA4HMAPK14L3MBTL1ABCB1
SCHEMBL9654512 0.73 LTA4H (0.45) LTA4HMAPK14L3MBTL1ABCB1MAPT
SCHEMBL29013146 0.72 SMN1; SMN2 (0.54) NPC1RAB9AALDH1A1LTA4HMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6040813-A None JP disclosed
EP-0572093-B1 Herbicidal 2,6-substituted pyridines SHELL INT RESEARCH (NL) 1999-04-14 EP disclosed
US-5374604-A 2,6-diphenoxypyridine as pre-emergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-12-20 US disclosed
JP-H0640813-A 2,6-SUBSTITUTED PYRIDINE HAVING HERBICIDAL EFFECT SHELL INTERNATL RES MAATSCHAPPIJ BV 1994-02-15 JP disclosed
EP-0572093-A1 Herbicidal 2,6-substituted pyridines SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-12-01 EP disclosed