SCHEMBL8921659

SCHEMBL8921659

CC(=O)NCCSc1ccc(NC(C)=O)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.50
MTNR1B P49286 4/20 0.50
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.43
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NQO2 P16083 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
RAB9A P51151 1/20 0.38
TNNC1 P63316 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
SCHEMBL8948371 0.89 MTNR1A (0.47) MTNR1AMTNR1BTDP1GSTP1GSTM2
SCHEMBL8921661 0.84 MTNR1A (0.54) MTNR1AMTNR1BKDM4EGSTP1GSTM2
Hydrochloric Acid SCHEMBL8919928 0.83 MTNR1A (0.52) MTNR1AMTNR1BKDM4EGSTP1GSTM2
SCHEMBL4571191 0.79 TDP1 (0.44) TDP1KDM4EALDH1A1MAPTMEN1
SCHEMBL8919768 0.78 MTNR1A (0.50) MTNR1AMTNR1BGSTP1GSTM2ALDH1A1
SCHEMBL8447846 0.77 GSTP1 (0.57) MTNR1AMTNR1BTDP1GSTP1GSTM2
SCHEMBL29594647 0.77 TDP1 (0.53) TDP1KDM4EALDH1A1MAPTTSHR
SCHEMBL8920481 0.77 TDP1 (0.53) TDP1KDM4EALDH1A1MAPTTSHR
SCHEMBL9221638 0.76 MTNR1A (0.68) MTNR1AMTNR1BTDP1ALDH1A1MAPT
SCHEMBL10814917 0.76 MTNR1A (0.51) MTNR1AMTNR1BGSTP1GSTM2MAPT

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
US-5672759-A BOARD RANGE OF SHADES OF COLOR EXHIBIT LIGHT RESISTANCE, WASHFASTNESS, WEATHERPROOFING AND RESISTANCE TO VARIOUS TREATMENT TO WHICH HAIR MAY BE SUBJECTED L'OREAL (FR) 1997-09-30 US claimed
US-5534037-A Dye composition for keratinic fibres containing sulfured metaphenylenediamines, dyeing process and new sulfured metaphenylenediamines and preparation method thereof L'OREAL (FR) 1996-07-09 US claimed
EP-0586648-B1 DYE COMPOSITION FOR KERATINIC FIBRES CONTAINING SULFURED METAPHENYLENEDIAMINES, DYEING PROCESS AND NEW SULFURED METAPHENYLENEDIAMINES AND PREPARATION METHOD THEREOF OREAL (FR) 1995-12-06 EP claimed
US-5672759-A BOARD RANGE OF SHADES OF COLOR EXHIBIT LIGHT RESISTANCE, WASHFASTNESS, WEATHERPROOFING AND RESISTANCE TO VARIOUS TREATMENT TO WHICH HAIR MAY BE SUBJECTED L'OREAL (FR) 1997-09-30 US disclosed
US-5534037-A Dye composition for keratinic fibres containing sulfured metaphenylenediamines, dyeing process and new sulfured metaphenylenediamines and preparation method thereof L'OREAL (FR) 1996-07-09 US disclosed