SCHEMBL10344907

SCHEMBL10344907

CCc1cc(-c2n[nH]c(=S)n2-c2ccc3c(c2)c(C)c(C)n3C)c(C)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
STAT3 P40763 1/20 0.38
RPA1 P27694 2/20 0.37
APOBEC3G Q9HC16 4/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
PAX8 Q06710 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL421132 0.94 HSP90AA1 (0.48) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL421156 0.85 HSP90AA1 (0.46) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL15868433 0.84 HSP90AA1 (0.45) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL421095 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL10344908 0.82 MEN1 (0.52) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL421085 0.82 HSP90AA1 (0.52) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL464384 0.81 HSP90AA1 (0.42) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL8931147 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL8931158 0.80 ALOX5 (0.44) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2
SCHEMBL16604232 0.78 HSP90AA1 (0.51) HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013170159-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 WO disclosed
WO-2013074594-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH BRAF INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-23 WO disclosed
WO-2013067162-A1 CANCER THERAPY USING A COMBINATION OF HSP90 INHIBITORS WITH TOPOISOMERASE I INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-10 WO disclosed
WO-2013006864-A2 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-01-10 WO disclosed
WO-2012162584-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-11-29 WO disclosed
WO-2012096919-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 WO disclosed
WO-2011146803-A1 METHOD OF TREATING LUNG ADENOCARCINOMA WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO disclosed
WO-2011133521-A2 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A VEGF INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-10-27 WO disclosed