SCHEMBL9602872

SCHEMBL9602872

CCC(CC)(c1ccc(C#N)nc1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
PTPN5 P54829 3/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
BRAF P15056 1/20 0.32
CCR6 P51684 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
DGAT1 O75907 1/20 0.31
SRC P12931 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPRB P23467 1/20 0.31
PTPN6 P29350 1/20 0.31
CDC25A P30304 1/20 0.31
PTPN11 Q06124 1/20 0.31
EPHX2 P34913 1/20 0.30
GRIN2B Q13224 1/20 0.30
ACACB O00763 1/20 0.30
PGK1 P00558 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
SCHEMBL2889268 0.80 PGK1 (0.34) PTPRCPTPN2PTPN1PTPRBPTPN6
SCHEMBL9603084 0.78 MYC (0.37) PTPN5SCN10A
SCHEMBL1095997 0.77 GABRP (0.37) PGK1PGK2
SCHEMBL8936022 0.76 PTPN5 (0.53) PTPN5PTPN1EPHX2
SCHEMBL7870277 0.75 PGK1 (0.44) PTPN5PTPN2PTPN1PTPN6PTPN11
SCHEMBL18745830 0.74 AR (0.40) ARDGAT1ACACB
SCHEMBL28897627 0.71 AR (0.44) ARKCNQ3KCNQ2BRAFDGAT1
SCHEMBL5859053 0.70 PTPN5 (0.46) PTPN5PTPN2PTPN1PTPN6PTPN11
SCHEMBL2739660 0.70 KIF11 (0.44) ARBRAFCCR6DGAT1
SCHEMBL18935708 0.69 AR (0.39) ARDGAT1ACACB

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