SCHEMBL9790652

SCHEMBL9790652

CC(C)c1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 1.00
CDK2 P24941 7/20 0.54
CCNE1 P24864 6/20 0.54
CDK5 Q00535 6/20 0.54
CCNT1 O60563 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK5R1 Q15078 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FDFT1 P37268 2/20 0.40

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
SCHEMBL7164309 0.80 FDPS (1.00) FDPSSMN1; SMN2
SCHEMBL9790756 0.79 FDPS (0.97) FDPSSMN1; SMN2
SCHEMBL9790803 0.77 FDPS (0.66) FDPSFDFT1
SCHEMBL7945367 0.76 FDPS (1.00) FDPSCDK2CCNE1CDK5FDFT1
SCHEMBL9790749 0.74 FDPS (1.00) FDPSCDK2CCNE1CDK5FDFT1
SCHEMBL9790811 0.72 FDPS (0.61) FDPSCDK2CCNE1CDK5
SCHEMBL7163557 0.72 FDPS (1.00) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL681610 0.71 CDK2 (0.73) FDPSCDK2CCNE1CDK5CCNT1
SCHEMBL9790770 0.71 FDPS (0.60) FDPSCDK2CCNE1CDK5
SCHEMBL9790768 0.71 FDPS (0.80) FDPSSMN1; SMN2

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