SCHEMBL9712231

SCHEMBL9712231

CC(OC(=O)C(C)(C)C)OP(=O)(COCCOn1cnc2c(N)ncnc21)OC(C)OC(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 3/20 0.54
▸ SLC22A6 Q4U2R8 2/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ POLA1 P09884 1/20 0.54
▸ POLG P54098 1/20 0.54
▸ FGFR1 P11362 3/20 0.43
▸ CYP3A4 P08684 8/20 0.41
▸ ENPP1 P22413 2/20 0.40
▸ NT5E P21589 1/20 0.38
▸ CYP2D6 P10635 7/20 0.37

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
SCHEMBL9712232 0.84 FAP (0.64) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL9417160 0.78 SLC22A6 (0.50) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL29391225 0.78 FGFR1 (0.68) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2107417 0.78 FGFR1 (0.68) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL9156685 0.73 SLC22A6 (0.46) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL471810 0.73 SLC22A6 (0.67) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL9858339 0.72 FGFR1 (0.50) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL9857536 0.71 FGFR1 (0.65) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL3720707 0.71 SLC22A6 (0.76) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL3922476 0.71 ADORA2A (0.50) SLC22A6FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992009611-A1 PHARMACEUTICALS BEECHAM GROUP PLC (GB) 1992-06-11 — — WO claimed
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