SCHEMBL4727124

SCHEMBL4727124

Cc1cn([C@H]2C[C@H](OCCC#N)[C@@H](COC(=O)c3ccccc3)O2)c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.43
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
PPM1B O75688 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
HTR7 P34969 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
GAPDH P04406 2/20 0.32
TK1 P04183 1/20 0.32

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
SCHEMBL25456621 0.88 RNASE1 (0.39) RNASE1ALDH1A1CYP1A2MAPTALOX15
SCHEMBL4730469 0.84 ALDH1A1 (0.46) RNASE1ALDH1A1HTTPPM1BPOLB
SCHEMBL4731815 0.83 RNASE1 (0.44) RNASE1ALDH1A1HTTPPM1BPOLB
SCHEMBL29897125 0.79 RNASE1 (0.68) RNASE1POLBNPC1TK1
SCHEMBL4731006 0.78 RNASE1 (0.60) RNASE1TK1
SCHEMBL4731003 0.78 RNASE1 (0.60) RNASE1TK1
SCHEMBL12352467 0.77 RNASE1 (0.58) RNASE1ALDH1A1HTTPPM1BPOLB
SCHEMBL2623806 0.77 RNASE1 (0.58) RNASE1ALDH1A1HTTPPM1BPOLB
SCHEMBL9098216 0.77 KMT2A (0.39) RNASE1ALDH1A1HTTPPM1BPOLB
SCHEMBL9098220 0.77 KMT2A (0.39) RNASE1ALDH1A1HTTPPM1BPOLB

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-2008037568-A2 REVERSIBLE TERMINATORS FOR EFFICIENT SEQUENCING BY SYNTHESIS QUIATECH AB (SE) 2008-04-03 WO disclosed