SCHEMBL4472095

SCHEMBL4472095

CCc1cc(O)c(O)c(-c2nnc(S)n2-c2ccc3[nH]c(=O)sc3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HTR1A P08908 2/20 0.34
HTR2C P28335 2/20 0.34
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
P2RX3 P56373 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
SCHEMBL931175 0.85 HTR1A (0.34) MAPTHTR1AHTR2CLMNAHTT
SCHEMBL4664286 0.73 ESR1 (0.34) MAPTLMNAHTTESR1ESR2
SCHEMBL3973501 0.72 KDM4E (0.34) MAPTESR1ESR2
SCHEMBL421071 0.70 ALDH1A1 (0.38) MAPTHTT
SCHEMBL930153 0.69 HSP90AA1 (0.34) MAPTLMNAHTTPDE3BPDE3A
SCHEMBL10345296 0.69 ALDH1A1 (0.37) MAPTLMNAHTT
SCHEMBL2596695 0.68 SMN1; SMN2 (0.37) MAPTLMNAHTT
SCHEMBL15940226 0.67 MAP3K11 (0.39) MAPTLMNAHTT
SCHEMBL931391 0.67 HTR1A (0.38) MAPTHTR1AHTR2CLMNA
SCHEMBL8931406 0.67 RPA1 (0.42) MAPTLMNAHTT

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
EP-2034996-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-03-18 EP disclosed
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed