SCHEMBL9628182

SCHEMBL9628182

O=S(=O)(O)c1cccc2cccc(Oc3ccccc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.51
TTR P02766 1/20 0.51
FABP4 P15090 1/20 0.51
CCNA2 P20248 1/20 0.51
MAPK14 Q16539 1/20 0.51
NR4A1 P22736 1/20 0.50
FABP1 P07148 1/20 0.44
CASP1 P29466 1/20 0.42
PGR P06401 1/20 0.41
POLB P06746 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTNNB1 P35222 1/20 0.40
CDK1 P06493 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL158361 0.83 CASP1 (0.51) CASP1POLBRXFP1SMN1; SMN2CTNNB1
SCHEMBL32661421 0.83 CASP1 (0.51) CASP1POLBRXFP1SMN1; SMN2CTNNB1
SCHEMBL512464 0.81 CASP1 (0.44) CASP1POLBRXFP1SMN1; SMN2CTNNB1
Hydrochloric Acid SCHEMBL11219372 0.81 CASP1 (0.50) CASP1POLBRXFP1SMN1; SMN2CTNNB1
Ammonia Solution, Strong SCHEMBL1120715 0.81 CASP1 (0.50) CASP1POLBRXFP1SMN1; SMN2CTNNB1
SCHEMBL9242715 0.80 CASP1 (0.49) CASP1PGRPOLBRXFP1SMN1; SMN2
SCHEMBL1832642 0.79 POLB (0.47) CASP1POLBRXFP1SMN1; SMN2CTNNB1
SCHEMBL9187136 0.79 ADORA2A (0.45) TTRCASP1POLBRXFP1SMN1; SMN2
SCHEMBL6743138 0.78 METAP2 (0.51) CDK2TTRFABP4CCNA2MAPK14
SCHEMBL12545615 0.78 TTR (0.47) CDK2TTRFABP4CCNA2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293971-B1 BIOLOGICAL DIAGNOSTIC ASSAY SYSTEM PB Diagnostic Systems, Inc. (US) 1992-04-15 EP disclosed
US-5102786-A Phenoxy-substituted naphthalene compounds and salts as blocking and/or displacing agent; accuracy, duplication PB DIAGNOSTIC SYSTEMS, INC. (US) 1992-04-07 US disclosed
EP-0293971-A1 Biological diagnostic assay system PB Diagnostic Systems, Inc. (US) 1988-12-07 EP disclosed
WO-1988009505-A1 BIOLOGICAL DIAGNOSTIC ASSAY SYSTEM P B DIAGNOSTIC SYSTEMS, INC. (US) 1988-12-01 WO disclosed