SCHEMBL7702913

SCHEMBL7702913

[c]1cc(-c2ccc(Sc3ccccc3)cc2)c(-c2ccc(Sc3ccccc3)cc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
BCL2 P10415 1/20 0.30
MCL1 Q07820 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
SCHEMBL770088 0.86 LMNA (0.36) ALDH1A1HPGDALOX5
SCHEMBL11763851 0.72 MAOA (0.46) MAOAMAOBALDH1A1HPGDPTGS2
Hydrogen Sulfide SCHEMBL27721391 0.70 MAOA (0.45) MAOAMAOBALDH1A1HPGDPTGS2
SCHEMBL11767098 0.70 PTGS2 (0.45) MAOAMAOBALDH1A1HPGDPTGS2
SCHEMBL2414534 0.70 ALDH1A1 (0.53) MAOAMAOBALDH1A1HPGD
SCHEMBL5713298 0.70 ALDH1A1 (0.53) MAOAMAOBALDH1A1HPGD
SCHEMBL29546908 0.68 ALDH1A1 (0.45) MAOAMAOBALDH1A1HPGDPTGS2
SCHEMBL15418803 0.68 ALDH1A1 (0.45) MAOAMAOBALDH1A1HPGDPTGS2
Hydrogen Sulfide SCHEMBL16176783 0.68 MAPK1 (0.38) MAOAMAOBALDH1A1HPGDPTGS1
SCHEMBL8749824 0.68 MAPT (0.39)

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
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed