SCHEMBL8552518

SCHEMBL8552518

Nc1cc(C(=O)c2ccc(S(=O)(=O)CCOS(=O)(=O)O)c(N)c2)ccc1S(=O)(=O)CCOS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL9811303 0.83 CA2 (0.45) CA2USP2HSD17B10ALDH1A1HTT
SCHEMBL7632384 0.82 CA2 (0.55) CA2RAB9AHSD17B10ALDH1A1HTT
SCHEMBL8423656 0.81 CA2 (0.62) CA2NPC1USP2RAB9ASMN1; SMN2
SCHEMBL9809407 0.81 CA2 (0.43) CA2SMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL8694925 0.81 CA2 (0.54) CA2RAB9AHSD17B10ALDH1A1L3MBTL1
SCHEMBL1170678 0.76 KYNU (0.47) CA2USP2HSD17B10ALDH1A1LMNA
SCHEMBL8951824 0.75 HSD17B10 (0.37) CA2HSD17B10ALDH1A1L3MBTL1GAA
SCHEMBL5117068 0.75 CA2 (0.47) CA2RAB9AHSD17B10ALDH1A1L3MBTL1
SCHEMBL7650327 0.74 CA2 (0.36) CA2
SCHEMBL8745461 0.74 ALDH1A1 (0.42) CA2USP2RAB9AHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735108-B1 Reactive azo dyes with an aminonaphthalenesulfonic acid as coupling component BASF AG (DE) 1999-05-26 EP disclosed
EP-0772653-B1 REACTIVE AZO DYES WITH A COUPLER OF THE AMINONAPHTHALENE SERIES BASF AG (DE) 1998-06-10 EP disclosed
EP-0772653-A1 REACTIVE AZO DYES WITH A COUPLER OF THE AMINONAPHTHALENE SERIES BASF AKTIENGESELLSCHAFT (DE) 1997-05-14 EP disclosed
EP-0735108-A2 Reactive azo dyes with an aminonaphthalenesulfonic acid as coupling component BASF Aktiengesellschaft (DE) 1996-10-02 EP disclosed
WO-1996010610-A1 REACTIVE AZO DYES WITH A COUPLER OF THE AMINONAPHTHALENE SERIES BASF AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed