SCHEMBL8920481

SCHEMBL8920481

CSc1ccc(NC(C)=O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GLA P06280 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
RUNX1 Q01196 1/20 0.45
CBFB Q13951 1/20 0.45
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL29594647 1.00 TDP1 (0.53) TDP1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL11772594 0.86 TDP1 (0.53) TDP1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL29593583 0.82 TDP1 (0.49) TDP1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL28728891 0.82 TDP1 (0.49) TDP1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL8780994 0.81 PKM (0.56) TDP1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL4055616 0.80 TDP1 (0.57) TDP1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL2962034 0.80 KDM4E (0.55) TDP1ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL30442658 0.80 TDP1 (0.60) TDP1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL7509092 0.80 TDP1 (0.60) TDP1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL2964139 0.79 HDAC1 (0.47) TDP1ALDH1A1KDM4EHTTSMN1; SMN2

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 9 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
CN-114394974-A Polysubstituted triaryl macrocyclic compounds and uses thereof 中国药科大学 2022-04-26 CN disclosed
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