SCHEMBL5176141

SCHEMBL5176141

Cc1ccc(O)cc1S(=O)(=O)O.Cc1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 7/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4055829 0.81 CASR (0.50) KDM4EMAPTRAB9ANPC1LMNA
Benzo[D]Thiazole SCHEMBL3652433 0.80 ALDH1A1 (0.49) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL4055826 0.79 SMN1; SMN2 (0.57) KDM4ERAB9ANPC1NPSR1LMNA
SCHEMBL121153 0.77 LMNA (0.53) LMNAALDH1A1PKMSMN1; SMN2POLB
Water SCHEMBL3002925 0.75 LMNA (0.51) LMNAALDH1A1PKMSMN1; SMN2POLB
Ammonia Solution, Strong SCHEMBL1924833 0.75 LMNA (0.51) LMNAALDH1A1PKMSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL5858440 0.75 LMNA (0.51) LMNAALDH1A1PKMSMN1; SMN2POLB
SCHEMBL14871610 0.75 ALDH1A1 (0.54) MAPTRAB9ANPC1LMNAALDH1A1
SCHEMBL9098356 0.74 TDP1 (0.54) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL55837 0.73 SMN1; SMN2 (0.54) KDM4EMAPTRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028695-A1 AGENT FOR DYEING FIBERS CONTAINING KERATIN WITH A CONCENTRATION OF DEHYDROASCORBIC ACID CONTENT Henkel Kommanditgesellschaft auf Aktien (DE) 2000-08-23 EP claimed
EP-0998256-A1 USE OF DI- AND OLIGOACYLAROMATS FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-05-10 EP claimed
WO-1999019558-A2 USE OF MALONALDEHYDE DERIVATIVES FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 WO claimed
WO-1999018917-A2 AGENT FOR DYEING FIBERS CONTAINING KERATIN WITH A CONCENTRATION OF DEHYDROASCORBIC ACID CONTENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 WO claimed
WO-1999004754-A1 USE OF DI- AND OLIGOACYLAROMATS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-04 WO claimed
WO-2007144376-A2 LIGHTENING AND/OR DYEING AGENTS WITH ESTERS AND/OR ANHYDRIDES HENKEL AG & CO. KGAA (DE) 2007-12-21 WO disclosed
EP-1789015-A1 METHOD FOR STYLISHLY CHANGING THE COLOR OF KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP disclosed
WO-2006029686-A1 METHOD FOR STYLISHLY CHANGING THE COLOR OF KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO disclosed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP disclosed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO disclosed