SCHEMBL9603084

SCHEMBL9603084

CCC(CC)(c1ccnc(C#N)c1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
SCN10A Q9Y5Y9 3/20 0.32
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PTPN5 P54829 1/20 0.31
CHRM4 P08173 1/20 0.30
ENPP2 Q13822 1/20 0.30
CTSK P43235 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL9602494 0.81 MYC (0.35) MYCSCN10AHDAC4HDAC6FDPS
SCHEMBL18642491 0.80 CCR1 (0.34) FDPS
SCHEMBL9602928 0.79 MYC (0.34) MYCSCN10AFDPS
SCHEMBL9602872 0.78 AR (0.39) SCN10APTPN5
SCHEMBL19309176 0.77 PRKCQ (0.37) MYCCTSK
SCHEMBL21971670 0.75 MYC (0.36) MYCCTSK
SCHEMBL9602075 0.74 ALDH1A1 (0.35) SCN10A
SCHEMBL13737546 0.74 MYC (0.35) MYCSCN10AHDAC4HDAC6CTSK
SCHEMBL9803917 0.74 PTPN5 (0.48) PTPN5ENPP2
SCHEMBL9808298 0.73 MYC (0.34) MYCSCN10AENPP2CTSKFDPS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP disclosed