SCHEMBL7499292

SCHEMBL7499292

CCOC(=O)c1c(C)nc2c(N)cccn12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.76
MAPK1 P28482 3/20 0.63
TP53 P04637 2/20 0.63
RAB9A P51151 2/20 0.63
HCRTR1 O43613 1/20 0.63
MAPT P10636 1/20 0.63
ALOX15 P16050 1/20 0.63
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
CYP1A2 P05177 4/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
RXFP1 Q9HBX9 1/20 0.49
PSEN1 P49768 1/20 0.43

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
SCHEMBL5634670 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL7502575 0.85 SMN1; SMN2 (0.78) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL20579804 0.85 SMN1; SMN2 (0.78) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL8181529 0.84 CYP1A2 (0.78) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL9226429 0.84 KDM4E (0.61) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL17018450 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL6351874 0.81 KMT2A (0.56) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL6354319 0.81 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL10710957 0.80 SMN1; SMN2 (0.69) SMN1; SMN2MAPK1TP53RAB9AHCRTR1
SCHEMBL6353312 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1TP53RAB9AHCRTR1

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
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 WO disclosed
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed