SCHEMBL9134397

SCHEMBL9134397

C[N+](C)(C)Cc1ccccc1.O=C(O)c1ccccc1SSc1ccccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.42
HSP90AA1 P07900 1/20 0.42
PTPRG P23470 1/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL9135104 1.00 POLB (0.65) POLBALDH1A1KDM4ETDP1CA12
SCHEMBL9460400 0.90 KDM4E (0.53) POLBALDH1A1KDM4ETDP1CA12
SCHEMBL9460250 0.90 KDM4E (0.53) POLBALDH1A1KDM4ETDP1CA12
Phthalic Acid SCHEMBL5875202 0.86 ALDH1A1 (0.65) POLBALDH1A1KDM4ETDP1CA12
SCHEMBL9133689 0.86 POLB (0.62) POLBALDH1A1TDP1CA12CA1
SCHEMBL9137505 0.86 POLB (0.62) POLBALDH1A1TDP1CA12CA1
Tetramethylammonium Ion SCHEMBL9133161 0.84 POLB (0.83) POLBALDH1A1KDM4ETDP1CA12
Tetramethylammonium Ion SCHEMBL9130805 0.84 POLB (0.83) POLBALDH1A1KDM4ETDP1CA12
SCHEMBL9134392 0.84 KDM4E (0.46) POLBALDH1A1KDM4ETDP1CA12
SCHEMBL9135101 0.84 KDM4E (0.46) POLBALDH1A1KDM4ETDP1CA12

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-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5274184-A Aryl sulphide, aryl sulphoxide and aryl sulphone compounds CASSELLA AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed