SCHEMBL9187136

SCHEMBL9187136

Nc1c(Oc2ccccc2)cccc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
APEX1 P27695 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC7A11 Q9UPY5 2/20 0.45
CTNNB1 P35222 1/20 0.45
CASP1 P29466 1/20 0.43
TTR P02766 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SOS1 Q07889 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
DPP4 P27487 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL7764006 0.87 ADORA2A (0.49) ADORA2APOLBRXFP1KMT2AMEN1
SCHEMBL690190 0.86 ADORA2A (0.47) ADORA2APOLBKMT2AMEN1CTNNB1
SCHEMBL158361 0.84 CASP1 (0.51) POLBRXFP1KMT2AMEN1APEX1
SCHEMBL32661421 0.84 CASP1 (0.51) POLBRXFP1KMT2AMEN1APEX1
SCHEMBL512464 0.83 CASP1 (0.44) POLBRXFP1KMT2AMEN1APEX1
Ammonia Solution, Strong SCHEMBL1120715 0.82 CASP1 (0.50) POLBRXFP1KMT2AMEN1APEX1
Hydrochloric Acid SCHEMBL11219372 0.82 CASP1 (0.50) POLBRXFP1KMT2AMEN1APEX1
SCHEMBL9242715 0.81 CASP1 (0.49) POLBRXFP1KMT2AMEN1APEX1
SCHEMBL1832642 0.80 POLB (0.47) POLBRXFP1KMT2AMEN1APEX1
SCHEMBL9628182 0.79 CDK2 (0.51) POLBRXFP1KMT2AMEN1APEX1

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-0662992-A1 MIX SYSTEM FOR PRODUCING WATER-DILUTABLE COATING AGENTS BASF Lacke + Farben AG (DE) 1995-07-19 EP disclosed
WO-1994007960-A1 MIX SYSTEM FOR PRODUCING WATER-DILUTABLE COATING AGENTS BASF LACKE + FARBEN AG (DE) 1994-04-14 WO disclosed