SCHEMBL9602494

SCHEMBL9602494

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.35
FDPS P14324 1/20 0.31
SCN10A Q9Y5Y9 3/20 0.31
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL9602928 0.87 MYC (0.34) MYCFDPSSCN10A
SCHEMBL9603084 0.81 MYC (0.37) MYCFDPSSCN10AHDAC4HDAC6
SCHEMBL19309176 0.75 PRKCQ (0.37) MYC
SCHEMBL9602793 0.75 FDPS (0.40) FDPS
SCHEMBL21971670 0.73 MYC (0.36) MYC
SCHEMBL13737546 0.72 MYC (0.35) MYCSCN10AHDAC4HDAC6
SCHEMBL9602662 0.70 MYC (0.35) MYC
SCHEMBL803414 0.69 ALDH1A1 (0.40) MYC
SCHEMBL9808298 0.68 MYC (0.34) MYCFDPSSCN10A
SCHEMBL9602511 0.68 FDPS (0.44) FDPS

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