Benzene

Benzene

SCHEMBL7330438

O=C(CSc1nc2cc(Cl)ccc2s1)NCCO.c1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.61
MAPT P10636 5/20 0.60
HSD17B10 Q99714 3/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 1/20 0.58
TSHR P16473 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.55
PSMD14 O00487 1/20 0.55
MMP2 P08253 1/20 0.55
GAA P10253 1/20 0.55
KCNH2 Q12809 1/20 0.55
USP2 O75604 1/20 0.53

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
SCHEMBL9624480 0.84 ALDH1A1 (0.74) ALOX5MAPTHSD17B10POLBL3MBTL1
SCHEMBL11099223 0.82 ALDH1A1 (0.65) ALOX5MAPTHSD17B10POLBL3MBTL1
SCHEMBL11115997 0.79 KMT2A (0.66) ALOX5MAPTHSD17B10POLBL3MBTL1
SCHEMBL1269542 0.79 MAPT (0.66) ALOX5MAPTHSD17B10POLBL3MBTL1
SCHEMBL7334028 0.78 PPARA (0.71) ALOX5PPARA
SCHEMBL29213218 0.77 ALDH1A1 (0.64) ALOX5MAPTPOLBKMT2AALDH1A1
SCHEMBL9439564 0.77 ALOX5 (0.64) ALOX5MAPTHSD17B10KMT2AALDH1A1
SCHEMBL11402240 0.77 PPARA (0.57) ALOX5MAPTKMT2AALDH1A1MEN1
SCHEMBL11177144 0.77 MAPT (0.58) ALOX5MAPTHSD17B10POLBL3MBTL1
SCHEMBL10359257 0.76 PTPN1 (0.56) ALOX5MAPTPOLBKMT2AALDH1A1

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-0067685-B1 ALPHA-PHENYL-2-(AZA)BENZOTHIAZOLYLTHIOGLYCOLIC ACIDS AND DERIVATIVES THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1986-11-05 EP disclosed
US-4567267-A α-Phenyl-2-(aza)benzothiazolylthioglycolic acids and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1986-01-28 US disclosed
US-4367233-A ALPHA-PHENYL-2-/AZA/BENZOTHIAZOYLTHIOGLYCOLIC ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1983-01-04 US disclosed
EP-0067685-A1 Alpha-phenyl-2-(aza)benzothiazolylthioglycolic acids and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1982-12-22 EP disclosed