SCHEMBL6870799

SCHEMBL6870799

C[S+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 5/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ TSHR P16473 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 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
SCHEMBL20150198 1.00 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL2461936 0.83 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL28875649 0.81 GPR35 (0.62) HSD17B10TDP1TSHRKMT2AMEN1
SCHEMBL16919574 0.79 TDP1 (0.42) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL10332959 0.79 HSD17B10 (0.47) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL876553 0.79 ALDH1A1 (0.47) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL10332960 0.79 HSD17B10 (0.47) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL16690965 0.79 HSD17B10 (0.47) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL3160352 0.76 ALDH1A1 (0.46) HSD17B10TDP1ALDH1A1TSHRKMT2A
SCHEMBL13630905 0.75 TDP1 (0.53) HSD17B10TDP1ALDH1A1TSHRKMT2A

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-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 — — EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 — — US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 — — EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 — — WO disclosed
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