SCHEMBL7708124

SCHEMBL7708124

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C(=O)N(C)C)cccc2[N+](=O)[O-])n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 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
SCHEMBL1537350 0.81 CDK1 (0.67) CDK1GAAKMT2AMAPTTP53
SCHEMBL4621134 0.80 CDK1 (0.68) CDK1GAAHPGDMAPTPOLB
SCHEMBL11562116 0.80 GAA (0.58) CDK1GAAKMT2AMAPTTP53
SCHEMBL10509250 0.80 CDK1 (0.70) CDK1GAAKMT2AMAPTTP53
SCHEMBL11045944 0.80 CDK1 (0.59) CDK1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL11043195 0.79 GAA (0.54) CDK1GAAMEN1KMT2ACYP2C9
Nicosulfuron SCHEMBL8536419 0.77 CDK1 (0.59) CDK1GAAMEN1KMT2ASMN1; SMN2
Nicosulfuron SCHEMBL29440408 0.77 CDK1 (0.59) CDK1GAAMEN1KMT2ASMN1; SMN2
Nicosulfuron SCHEMBL22938 0.77 CDK1 (0.59) CDK1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL10984018 0.77 GAA (0.60) CDK1GAAKMT2ASMN1; SMN2MAPT

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
US-6365739-B1 REACTION OF AMINOPYRAMIDINE WITH PHOSGENE TO FORM ISOCYANATO PYRIMIDINE HOECHST SCHERING AGREVO GMBH (DE) 2002-04-02 US disclosed