SCHEMBL9320539

SCHEMBL9320539

Cc1ccc(N)cc1S(=O)(=O)N(CCO)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 2/20 0.38
HTT P42858 1/20 0.37
VCAM1 P19320 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35

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
SCHEMBL16364898 0.84 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2L3MBTL1KMT2AHPGD
SCHEMBL3907809 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1KMT2AHPGD
SCHEMBL9320508 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1KMT2AHPGD
SCHEMBL9320536 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1KMT2AHPGD
SCHEMBL9320663 0.81 VCAM1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1KMT2AHPGD
SCHEMBL9683547 0.77 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDTP53
SCHEMBL29451752 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1CASP1NPC1
SCHEMBL7537342 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1CASP1NPC1
SCHEMBL31263607 0.76 CA2 (0.47) ALDH1A1L3MBTL1KMT2ATSHRCASP1
SCHEMBL9498840 0.76 CA2 (0.47) ALDH1A1L3MBTL1KMT2ATSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372315-B1 Reactive dyes based on copper formazane BASF AG (DE) 1994-01-26 EP disclosed
US-5245020-A Reactive dyes with two or three nitrogen-containing haloheterocycles as reactive system BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
US-5041540-A For dyeing or printing hydroxyl- or nitrogen-containing substrates BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed
EP-0372315-A1 Reactive dyes based on copper formazane BASF Aktiengesellschaft (DE) 1990-06-13 EP disclosed