SCHEMBL4968771

SCHEMBL4968771

Cc1nc2ccc(Cl)cn2c1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 3/20 0.53
POLB P06746 1/20 0.53
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
MAP3K14 Q99558 1/20 0.42
KLK7 P49862 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3974420 0.77 ALDH1A1 (0.69) ALDH1A1GAAPOLBCYP1A2CYP2C9
SCHEMBL6112913 0.74 ALDH1A1 (0.69) ALDH1A1GAAPOLBCYP1A2CYP2C9
SCHEMBL27048502 0.72 ALDH1A1 (0.54) ALDH1A1GAAPOLBCYP1A2CYP2C9
SCHEMBL13036621 0.72 ALDH1A1 (0.54) ALDH1A1GAAPOLBCYP1A2CYP2C9
SCHEMBL5750125 0.72 KDM4E (0.50) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL9924041 0.71 ALDH1A1 (0.50) ALDH1A1GAAPOLBCYP1A2CYP2C9
SCHEMBL6112856 0.70 ALDH1A1 (0.67) ALDH1A1GAAPOLBCYP1A2CYP2C9
SCHEMBL18894160 0.69 ALDH1A1 (0.51) ALDH1A1GAAPOLBCYP1A2CYP2C9
SCHEMBL15266482 0.69 ALDH1A1 (0.51) ALDH1A1GAAPOLBCYP1A2CYP2C9
SCHEMBL19723541 0.69 CYP1A2 (0.61) ALDH1A1GAAPOLBCYP1A2CYP2C9

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
EP-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 EP disclosed
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP disclosed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO disclosed