SCHEMBL7809779

SCHEMBL7809779

CC(=O)c1ccsc1OB(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
NR4A1 P22736 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTK2 Q05397 1/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPK1 P28482 3/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 2/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL11459102 0.77 KDM4E (0.38) MEN1KMT2APOLBMAPTNR4A1
SCHEMBL1942869 0.72 CYP2A6 (0.34) MEN1KMT2APOLBMAPTRECQL
SCHEMBL3788448 0.71 PTK2 (0.38) MEN1KMT2APOLBMAPTNR4A1
SCHEMBL27684976 0.70 POLB (0.31) POLB
SCHEMBL5435189 0.69 CYP2A6 (0.36) MEN1KMT2ATDP1
SCHEMBL7812224 0.68 MAPT (0.30) MAPT
SCHEMBL4556834 0.67 PRNP (0.45) MEN1KMT2APOLBMAPTNR4A1
SCHEMBL1286667 0.67
SCHEMBL16414272 0.66
SCHEMBL3044354 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed