SCHEMBL11802485

SCHEMBL11802485

CN(C)c1nc(NC(N)=O)nc(N(C)C)n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
CREBBP Q92793 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.42
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
CA12 O43570 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Altretamine SCHEMBL13723253 0.80 ALDH1A1 (0.55) POLBALDH1A1SMN1; SMN2KDM4ELMNA
Altretamine SCHEMBL20539080 0.77 LMNA (0.61) POLBALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL515345 0.77 CYP1A2 (0.42) POLBALDH1A1KDM4ELMNACYP1A2
SCHEMBL10468490 0.76 POLB (0.43) POLBALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL2474178 0.73 POLB (0.60) POLBALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL3759813 0.73 POLB (0.60) POLBALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL17451136 0.72 POLB (0.58) POLBALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL11802135 0.71 KMT2A (0.38) POLBKDM4ELMNACYP1A2TSHR
SCHEMBL11801853 0.71 KMT2A (0.38) POLBALDH1A1KDM4ECYP1A2GAA
SCHEMBL2475847 0.71 POLB (0.51) POLBALDH1A1SMN1; SMN2KDM4ELMNA

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-3940365-A PHENOLIC ANTIOXIDANT AND AN UREA OR AN OXALIC ACID DIAMIDE OR AN AZODICARBOXYLIC AMIDE HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed