SCHEMBL11767196

SCHEMBL11767196

Cn1c(=O)[nH]c(=O)n(-c2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.40
HSD11B1 P28845 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
MAPT P10636 2/20 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
SCHEMBL11767801 0.85 MAPT (0.52) GSK3BGSK3AKMT2APKMSIRT6
SCHEMBL11842419 0.84 NTRK1 (0.52) GSK3BGSK3AKMT2APOLBPKM
SCHEMBL11773709 0.84 CA1 (0.41) GSK3BGSK3AKMT2APOLBPKM
SCHEMBL11766316 0.84 GSK3B (0.47) GSK3BGSK3AKMT2APOLBHSD11B1
SCHEMBL11768149 0.84 HSD11B1 (0.40) GSK3BGSK3AKMT2APOLBPKM
SCHEMBL11768132 0.83 NTRK1 (0.47) GSK3BGSK3APOLBPKMCA12
SCHEMBL11769444 0.82 ALDH1A1 (0.46) GSK3BGSK3AKMT2APOLBPKM
SCHEMBL11766542 0.81 PKM (0.35) KMT2APKMHSD11B1MAPTMEN1
SCHEMBL11775449 0.79 MAPT (0.41) GSK3BGSK3AKMT2APOLBHSD11B1
SCHEMBL11771569 0.78 SCN2A (0.48) GSK3BKMT2APOLBCA12CA1

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
US-3970752-A Coccidiocidal compositions utilizing 1-phenyl-substituted 1,3,5-triazine BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 US disclosed
US-3948893-A COCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed