SCHEMBL9790749

SCHEMBL9790749

CCCc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 1.00
CDK2 P24941 2/20 0.44
CCNE1 P24864 1/20 0.39
CDK5 Q00535 1/20 0.39
FDFT1 P37268 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL7163557 0.92 FDPS (1.00) FDPSCDK2CCNE1CDK5FDFT1
SCHEMBL7945367 0.88 FDPS (1.00) FDPSCDK2CCNE1CDK5FDFT1
SCHEMBL7164309 0.76 FDPS (1.00) FDPSCA12CA1MMP8
SCHEMBL9790756 0.75 FDPS (0.97) FDPSCA12CA1MMP8
SCHEMBL9790652 0.74 FDPS (1.00) FDPSCDK2CCNE1CDK5FDFT1
SCHEMBL9790803 0.73 FDPS (0.66) FDPSFDFT1MMP8
SCHEMBL18135139 0.72 CDK2 (0.64) FDPSCDK2CCNE1CDK5
SCHEMBL9790811 0.69 FDPS (0.61) FDPSCDK2CCNE1CDK5MMP8
SCHEMBL9790768 0.68 FDPS (0.80) FDPS
SCHEMBL9790770 0.68 FDPS (0.60) FDPSCDK2CCNE1CDK5MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US claimed
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed