SCHEMBL16704351

SCHEMBL16704351

Cc1cn([C@H]2C[C@@H](ON3C(=O)c4ccccc4C3=O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.71
▸ TK1 P04183 6/20 0.57
▸ TK2 O00142 2/20 0.56
▸ LMNA P02545 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ ALB P02768 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55

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
SCHEMBL1334032 1.00 RNASE1 (0.71) RNASE1TK1TK2LMNATSHR
SCHEMBL1334035 1.00 RNASE1 (0.71) RNASE1TK1TK2LMNATSHR
SCHEMBL25752670 0.91 RNASE1 (0.59) RNASE1TK1TK2
SCHEMBL7922859 0.90 RNASE1 (0.58) RNASE1TK1TK2
SCHEMBL7922857 0.90 RNASE1 (0.58) RNASE1TK1TK2
SCHEMBL16704357 0.88 RNASE1 (0.56) RNASE1TK1TK2LMNATSHR
SCHEMBL16704350 0.87 RNASE1 (0.55) RNASE1TK1TK2
SCHEMBL4578740 0.84 TOP2A (0.58) RNASE1TK1TK2
SCHEMBL29760775 0.84 TOP2A (0.58) RNASE1TK1TK2
SCHEMBL3912314 0.84 RNASE1 (0.54) RNASE1TK1TK2

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-9029346-B1 Irreversible inhibitors of DNA polymerase beta THE JOHNS HOPKINS UNIVERSITY (US) 2015-05-12 — — US disclosed
US-9029346-B1 Irreversible inhibitors of DNA polymerase beta THE JOHNS HOPKINS UNIVERSITY (US) 2015-05-12 — — US disclosed
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