SCHEMBL5215727

SCHEMBL5215727

Cc1c(Cl)cc(O)nc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GPR35 Q9HC97 1/20 0.33
CHRM1 P11229 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 4/20 0.31
HPGD P15428 3/20 0.31

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
SCHEMBL127356 0.74 KDM4E (0.37) MAPTCYP2C9CYP2C19HIF1ACYP3A4
SCHEMBL29378184 0.74 KDM4E (0.37) MAPTCYP2C9CYP2C19HIF1ACYP3A4
SCHEMBL10758352 0.74 ACHE (0.46) MAPTTP53CYP2C9CYP2C19HIF1A
SCHEMBL4867080 0.74 KDM4E (0.37) MAPTCYP2C9CYP2C19HIF1ACYP3A4
SCHEMBL11292394 0.73 CYP3A4 (0.48) SMN1; SMN2MAPTCYP3A4ALDH1A1CHRM1
Bromide SCHEMBL7236796 0.72 KDM4E (0.36) MAPTALDH1A1ACHEGAALMNA
SCHEMBL19047158 0.70 ALDH1A1 (0.39) SMN1; SMN2MAPTTP53HIF1ACYP3A4
SCHEMBL2568645 0.68 ACHE (0.40) SMN1; SMN2MAPTCYP3A4ALDH1A1CHRM1
SCHEMBL26287618 0.68 ACHE (0.40) SMN1; SMN2MAPTCYP3A4ALDH1A1GPR35
SCHEMBL28291367 0.68 GABRA1 (0.36) SMN1; SMN2ALDH1A1ALOX15POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420019-B1 Substituted pyridino pentaazamacrocyle ligands MONSANTO CO (US) 2007-07-25 EP disclosed
EP-1420022-B1 Use of substituted pyridino pentaazamacrocyle complexes having superoxide dismutase activity MONSANTO CO (US) 2007-07-04 EP disclosed
EP-1212323-B1 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO CO (US) 2004-06-09 EP disclosed
EP-1420022-A1 Substituted pyridino pentaazamacrocyle complexes having superoxide dismutase activity MONSANTO COMPANY (US) 2004-05-19 EP disclosed
EP-1420019-A1 Substituted pyridino pentaazamacrocyle ligands having superoxide dismutase activity MONSANTO COMPANY (US) 2004-05-19 EP disclosed
WO-2001019823-A9 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO CO (US) 2002-09-26 WO disclosed
EP-1212323-A2 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO COMPANY (US) 2002-06-12 EP disclosed
US-6214817-B1 NITROGEN MACROCYCLE COMPLEXES WITH MANGANESE AND IRON MONSANTO COMPANY 2001-04-10 US disclosed
WO-2001019823-A2 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO COMPANY (US) 2001-03-22 WO disclosed