SCHEMBL14397161

SCHEMBL14397161

CC(=O)O[C@@H]1C[C@H](n2cc(C#CCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1CO[PH](=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.38
TK1 P04183 1/20 0.36
TYMS P04818 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
ADRA1A P35348 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7221864 0.89 RNASE1 (0.48) RNASE1LMNAALOX12ADRA1ASMN1; SMN2
SCHEMBL1566423 0.89 RNASE1 (0.48) RNASE1LMNAALOX12ADRA1ASMN1; SMN2
SCHEMBL1565805 0.81 RNASE1 (0.39) RNASE1TYMS
SCHEMBL24972908 0.79 LMNA (0.39) RNASE1TK1LMNAALOX12ADRA1A
SCHEMBL15061820 0.79 RNASE1 (0.44) RNASE1TK1LMNAALOX12ADRA1A
SCHEMBL15061815 0.79 TOP2A (0.43)
SCHEMBL20974279 0.78 TOP2A (0.43)
SCHEMBL20953734 0.78 TOP2A (0.43)
SCHEMBL18844509 0.78 TOP2A (0.43)
SCHEMBL20810838 0.78 RNASE1 (0.43) RNASE1TK1LMNAALOX12ADRA1A

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-2007110624-A2 IMMOBILISED REAGENT UNIVERSITY COURT OF THE UNIVERSITY OFEDINBURGH (GB) 2007-10-04 WO disclosed