SCHEMBL6552324

SCHEMBL6552324

Cc1cc(OP(N)(N)=O)nc(NP(N)(N)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 5/20 0.32
LMNA P02545 2/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 3/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6553441 0.85 TSHR (0.48) TSHRSMN1; SMN2HTTMAPTCYP1A2
SCHEMBL6552161 0.82 GAA (0.41) TSHRSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL6553882 0.75 KMT2A (0.41) SMN1; SMN2HTTMAPTCYP1A2ALDH1A1
SCHEMBL10936663 0.71 ALDH1A1 (0.40) TSHRHTTMAPTALDH1A1LMNA
SCHEMBL6552493 0.70 HTT (0.53) TSHRSMN1; SMN2HTTMAPTCYP1A2
SCHEMBL6552139 0.66 MAPT (0.46) SMN1; SMN2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL10935113 0.65
SCHEMBL10937914 0.65
SCHEMBL23646019 0.64 SMN1; SMN2 (0.41) TSHRSMN1; SMN2HTTMAPTCYP1A2
SCHEMBL6552149 0.64 S1PR2 (0.33)

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
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
US-4518413-A Poly-phosphorodiamide urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1985-05-21 US disclosed