SCHEMBL8919768

SCHEMBL8919768

CC(=O)NCCSc1ccc(N)cc1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BLM P54132 2/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CLK1 P49759 1/20 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
SCHEMBL8921661 0.84 MTNR1A (0.54) MTNR1AMTNR1BGSTP1GSTM2HDAC6
Hydrochloric Acid SCHEMBL8919928 0.83 MTNR1A (0.52) MTNR1AMTNR1BGSTP1GSTM2HDAC6
SCHEMBL8780978 0.83 MTNR1A (0.49) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8445169 0.81 MTNR1A (0.50) MTNR1AMTNR1BGSTP1GSTM2HDAC6
SCHEMBL8921259 0.80 SMN1; SMN2 (0.51) MTNR1AMTNR1BGSTP1GSTM2KMT2A
SCHEMBL8921659 0.78 MTNR1A (0.50) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL9212481 0.77 MTNR1A (0.70) MTNR1AMTNR1BTSHRKMT2AALDH1A1
SCHEMBL8948371 0.75 MTNR1A (0.47) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8966015 0.71 NPC1 (0.54) HDAC6ALDH1A1NPC1HPGDMAPT
SCHEMBL1708819 0.70 HDAC1 (0.62) KMT2AALDH1A1NPC1BLMHPGD

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
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
EP-0586648-A1 DYE COMPOSITION FOR KERATINIC FIBRES CONTAINING SULFURED METAPHENYLENEDIAMINES, DYEING PROCESS AND NEW SULFURED METAPHENYLENEDIAMINES AND PREPARATION METHOD THEREOF. OREAL (FR) 1994-03-16 EP claimed
WO-1993016990-A1 DYE COMPOSITION FOR KERATINIC FIBRES CONTAINING SULFURED METAPHENYLENEDIAMINES, DYEING PROCESS AND NEW SULFURED METAPHENYLENEDIAMINES AND PREPARATION METHOD THEREOF L'OREAL (FR) 1993-09-02 WO 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
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 disclosed
EP-0586648-A1 DYE COMPOSITION FOR KERATINIC FIBRES CONTAINING SULFURED METAPHENYLENEDIAMINES, DYEING PROCESS AND NEW SULFURED METAPHENYLENEDIAMINES AND PREPARATION METHOD THEREOF. OREAL (FR) 1994-03-16 EP disclosed
WO-1993016990-A1 DYE COMPOSITION FOR KERATINIC FIBRES CONTAINING SULFURED METAPHENYLENEDIAMINES, DYEING PROCESS AND NEW SULFURED METAPHENYLENEDIAMINES AND PREPARATION METHOD THEREOF L'OREAL (FR) 1993-09-02 WO disclosed