SCHEMBL9602928

SCHEMBL9602928

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.34
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
FDPS P14324 1/20 0.30
SCN10A Q9Y5Y9 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 0.87 MYC (0.35) MYCFDPSSCN10A
SCHEMBL9603084 0.79 MYC (0.37) MYCFDPSSCN10A
SCHEMBL9602538 0.76 FDPS (0.38) S1PR4S1PR1S1PR3FDPS
SCHEMBL19309176 0.73 PRKCQ (0.37) MYC
SCHEMBL21971670 0.71 MYC (0.36) MYC
SCHEMBL13737546 0.70 MYC (0.35) MYCSCN10A
SCHEMBL9808298 0.69 MYC (0.34) MYCS1PR4S1PR1S1PR3S1PR5
SCHEMBL9602662 0.68 MYC (0.35) MYC
SCHEMBL803414 0.67 ALDH1A1 (0.40) MYC
SCHEMBL24111506 0.65 MYC (0.37) MYCSCN10A

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