Triphosphate

Triphosphate

SCHEMBL8798540

COc1cc(NC(=O)N(Cc2ccncc2)c2cccnc2)c(O)c(C(C)(C)C)c1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
PDK1 Q15118 3/20 0.33
QPCT Q16769 2/20 0.33
ABCB1 P08183 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
POLB P06746 1/20 0.32

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
Phosphoric Acid SCHEMBL8798516 0.94 HTT (0.39) HTTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8799816 0.93 HTT (0.41) HTTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8798528 0.90 HTT (0.37) HTTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8798468 0.85 GAA (0.43) HTTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8373943 0.70 KDM4E (0.55) SMN1; SMN2ALDH1A1TSHRKMT2A
Hydrochloric Acid SCHEMBL8704585 0.69 KDM4E (0.54) SMN1; SMN2ALDH1A1TSHRKMT2A
Triphosphate SCHEMBL8707480 0.68 AHR (0.43) HTTGAASMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL8798247 0.67 GAA (0.47) HTTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL8708827 0.66 TSHR (0.56) HTTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8799596 0.66 VCAM1 (0.39) LMNAMEN1KMT2APOLB

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-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed