SCHEMBL8324577

SCHEMBL8324577

COc1cc(OC)nc(NC(N)=O)n1.[NaH]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
MAPT P10636 2/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NNMT P40261 1/20 0.42
HDAC1 Q13547 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41

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
SCHEMBL2775380 0.98 CYP1A2 (0.70) CYP1A2MAPTKMT2ATP53GLA
SCHEMBL10616011 0.88 CYP1A2 (0.57) CYP1A2MAPTKMT2AALDH1A1KDM4E
SCHEMBL8431787 0.82 CYP1A2 (0.75) CYP1A2MAPTKMT2ATP53GLA
SCHEMBL9640545 0.81 CYP1A2 (1.00) CYP1A2MAPTKMT2ATP53GLA
SCHEMBL3791688 0.81 CYP1A2 (0.72) CYP1A2MAPTKMT2ATP53GLA
SCHEMBL2702801 0.81 CYP1A2 (0.72) CYP1A2MAPTKMT2ATP53GLA
SCHEMBL2703472 0.79 CYP1A2 (0.70) CYP1A2MAPTKMT2ATP53GLA
SCHEMBL8303247 0.79 CYP1A2 (0.70) CYP1A2MAPTKMT2ATP53GLA
SCHEMBL9456287 0.79 CYP1A2 (0.59) CYP1A2MAPTKMT2ATP53GLA
SCHEMBL12719643 0.78 CYP1A2 (0.68) CYP1A2MAPTKMT2ATP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916660-A2 Process for the production of sulphonylurea salts Novartis AG (CH) 1999-05-19 EP disclosed