SCHEMBL1344457

SCHEMBL1344457

CCCNc1cc(-c2c(OP(=O)(O)OCC)n[nH]c2-c2cc(C(C)C)c(O)cc2O)ccc1OC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 9/20 0.32
▸ HSP90AB1 P08238 7/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ BMPR1B O00238 1/20 0.31
▸ STK16 O75716 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ DMPK Q09013 1/20 0.31
▸ MAP2K5 Q13163 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL12046449 0.84 HSP90AA1 (0.33) HSP90AA1HSP90AB1KMT2AALDH1A1TP53
SCHEMBL14609804 0.78 GABRA1 (0.40) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT
SCHEMBL12046453 0.75 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL1148680 0.69 HSP90AA1 (0.34) HSP90AA1HSP90AB1KMT2ABMPR1BSTK16
SCHEMBL2517374 0.67 HSP90AA1 (0.33) HSP90AA1HSP90AB1KMT2AALDH1A1
SCHEMBL14425300 0.66 HSP90AA1 (0.34) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT
SCHEMBL1148835 0.65 HSP90AA1 (0.38) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT
SCHEMBL1148531 0.65 CHEK1 (0.34) HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL1147883 0.64 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL1148623 0.64 HSP90AA1 (0.35) HSP90AA1HSP90AB1KMT2AALDH1A1MAPT

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-8063083-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2011-11-22 — — US disclosed
US-8034834-B2 Method for treating proliferative disorders with HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2011-10-11 — — US disclosed
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