SCHEMBL6553441

SCHEMBL6553441

COc1cc(C)nc(NP(N)(N)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 2/20 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
SCHEMBL6552324 0.85 TSHR (0.35) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6552493 0.85 HTT (0.53) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6552161 0.84 GAA (0.41) TSHRSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9847096 0.77 HTT (0.54) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6553882 0.76 KMT2A (0.41) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL10508223 0.74 HTT (0.56) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10616011 0.73 CYP1A2 (0.57) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL9129851 0.72 CYP1A2 (0.61) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL16677950 0.72 POLB (0.64) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL25538376 0.72 HTT (0.53) TSHRSMN1; SMN2HTTALDH1A1LMNA

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-1282628-B1 N-(2-PYRIMIDINYL)(THIO)PHOSPHORIC TRIAMIDES, METHOD FOR PRODUCING THE SAME, AND THE USE THEREOF AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC UREA HYDROLYSIS PIESTERITZ STICKSTOFF (DE) 2004-02-11 EP disclosed