SCHEMBL5875817

SCHEMBL5875817

c1cc(-c2ccoc2)c2cncn2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.55
QPCTL Q9NXS2 1/20 0.55
IDO1 P14902 3/20 0.40
TDO2 P48775 1/20 0.40
IMPDH2 P12268 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 8/20 0.37
CYP3A4 P08684 7/20 0.37
CYP2D6 P10635 7/20 0.37
CYP2C19 P33261 7/20 0.37
HSD17B10 Q99714 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CLK4 Q9HAZ1 3/20 0.37
USP2 O75604 1/20 0.37
TBXAS1 P24557 1/20 0.36
ALOX15 P16050 3/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
Hydrochloric Acid SCHEMBL6267698 0.98 QPCT (0.54) QPCTQPCTLIDO1TDO2IMPDH2
SCHEMBL3260750 0.78 QPCT (0.67) QPCTQPCTLIDO1TDO2CYP17A1
SCHEMBL12698760 0.76 QPCT (0.68) QPCTQPCTLIDO1TDO2CYP17A1
SCHEMBL3231053 0.74 QPCT (0.66) QPCTQPCTLIDO1TDO2CYP17A1
SCHEMBL3215934 0.74 QPCT (0.66) QPCTQPCTLIDO1TDO2CYP17A1
SCHEMBL12698831 0.72 QPCT (0.59) QPCTQPCTLIDO1TDO2CYP17A1
SCHEMBL12698953 0.72 QPCT (0.55) QPCTQPCTLIDO1TDO2CYP17A1
SCHEMBL13574557 0.71 FYN (0.38) TDO2IMPDH2CYP1A2CYP3A4CYP2D6
SCHEMBL3228833 0.71 QPCT (0.54) QPCTQPCTLIDO1TDO2CYP17A1
SCHEMBL3229481 0.71 QPCT (0.54) QPCTQPCTLIDO1TDO2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006508970-A 2006-03-16 JP claimed
EP-1565463-A1 IMIDAZO[1,5A]PYRIDINE DERIVATIVES AND METHODS FOR TREATING ALDOSTERONE MEDIATED DISEASES Novartis AG (CH) 2005-08-24 EP claimed
WO-2004046145-A1 IMIDAZO[1, 5A]PYRIDINE DERIVATIVES AND METHODS FOR TREATING ALDOSTERONE MEDIATED DISEASES NOVARTIS AG (CH) 2004-06-03 WO claimed