SCHEMBL7499322

SCHEMBL7499322

CCOC(=O)c1cc(-c2ccccc2OC)[nH]c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
PTGES O14684 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
ERN1 O75460 1/20 0.46
TSHR P16473 1/20 0.45
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
CDC7 O00311 1/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4339718 0.83 CDC7 (0.57) ALDH1A1HSD17B10BRD4KDM4EMAPT
SCHEMBL7997890 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRBRD4KDM4E
SCHEMBL1894350 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL13446707 0.77 BRD4 (0.52) ALDH1A1HSD17B10TSHRBRD4KDM4E
SCHEMBL4891722 0.77 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL6536223 0.77 TSHR (0.62) ALOX5ALDH1A1HSD17B10ERN1TSHR
SCHEMBL7497896 0.77 ALDH1A1 (0.57) ALDH1A1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL873499 0.76 TSHR (0.71) ALDH1A1HSD17B10ERN1TSHRKDM4E
SCHEMBL29678391 0.76 TSHR (0.71) ALDH1A1HSD17B10ERN1TSHRKDM4E
SCHEMBL18342044 0.75 MEN1 (0.55) ALDH1A1HSD17B10TSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 US disclosed