SCHEMBL13786378

SCHEMBL13786378

COc1cc(OC)nc(-n2c(=S)[nH]c3cc(C(=O)NCc4ccc([S+](C)[O-])cc4)ccc3c2=O)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.55
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 9/20 0.48
▸ MAPT P10636 8/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ RXFP1 Q9HBX9 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL3583785 0.90 USP2 (0.58) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2895423 0.89 USP2 (0.57) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2897583 0.89 USP2 (0.55) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2900359 0.88 KMT2A (0.60) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2895356 0.88 USP2 (0.54) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2902339 0.88 USP2 (0.56) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2902443 0.87 USP2 (0.54) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2915582 0.84 MEN1 (0.57) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2897673 0.84 MEN1 (0.57) USP2KMT2AMEN1LMNAPOLB
SCHEMBL2897218 0.83 NAMPT (0.49) USP2KMT2AMEN1LMNAPOLB

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-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 — — WO disclosed
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