SCHEMBL1200734

SCHEMBL1200734

O=C(c1ccccc1C=S)c1ccccc1C=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.38
GUSB P08236 1/20 0.38
AKR1C3 P42330 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
CDC25B P30305 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL7639009 0.87 AKR1C3 (0.55) ALDH1A1GAAMAPTAKR1C3MEN1
SCHEMBL6835473 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTALOX15TSHR
SCHEMBL7416476 0.82 ALDH1A1 (0.50) ALDH1A1GAAMAPTTSHRBCHE
SCHEMBL6048203 0.82 LMNA (0.39) ALDH1A1SMN1; SMN2MAPTALOX15BCHE
SCHEMBL2945577 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTTP53ALOX15
SCHEMBL7606289 0.78 LMNA (0.57) ALDH1A1SMN1; SMN2GAAMAPTTP53
SCHEMBL5074597 0.77 CYP3A4 (0.35) ALDH1A1SMN1; SMN2ALOX15TSHRBCHE
SCHEMBL38132 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAMAPTTP53
SCHEMBL9352271 0.74 NR4A2 (0.50) ALDH1A1SMN1; SMN2GAAALOX15TSHR
SCHEMBL8565728 0.73 ADRA1A (0.39) ALDH1A1TSHRBCHEMEN1KMT2A

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
US-20110027195-A1 COMPOSITION FOR DENTAL BARRIER COMPRISING AT LEAST ONE MONOMER, AT LEAST ONE POLYMERIZATION INITIATING SYSTEM, AND AT LEAST ONE INDICATOR ENABLING THE POLYMERIZATION REACTION TO BE MONITORED PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2011-02-03 US disclosed