SCHEMBL8761633

SCHEMBL8761633

NC(=S)NCCCN(CCCNC(N)=S)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
TSHR P16473 1/20 0.41
TAS2R38 P59533 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL8761454 0.91 KMT2A (0.49) MAPTNPSR1GAAALOX12CRHBP
SCHEMBL8761649 0.73 KMT2A (0.44) MAPTNPSR1GAAHTTALDH1A1
SCHEMBL11429169 0.73 ALDH1A1 (0.47) MAPTGAAALDH1A1TP53TYR
SCHEMBL1408147 0.73 MEN1 (0.42) MAPTNPSR1GAAALDH1A1TSHR
SCHEMBL3911693 0.73 KMT2A (0.62) MAPTGAAHTTALDH1A1KMT2A
SCHEMBL9621989 0.72 POLB (0.60) MAPTNPSR1GAAHTTALDH1A1
SCHEMBL5533037 0.71 KMT2A (0.56) TSHRKMT2ASMN1; SMN2LMNA
SCHEMBL5928136 0.71 OPRM1 (0.42) MAPTNPSR1ALDH1A1TSHRKMT2A
SCHEMBL17956753 0.70 TRPV1 (0.58) TSHRKMT2ASMN1; SMN2LMNA
SCHEMBL5378450 0.70 OPRM1 (0.41) TSHRKMT2AMEN1

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-5703215-A SOLID WATER SOLUBLE DYE CONTAINING ELECTROPHILIC AND NUCLEOPHILIC GROUPS, WHICH WHEN HEATED AND/OR BASIFIED CAUSES FORMATION OF COVALENT BONDS BETWEEN SAID GROUPS ON DIFFERENT MOLECULES ZENECA LIMITED (GB) 1997-12-30 US disclosed
EP-0639237-B1 DYES, THEIR PREPARATION AND USE IN THE COLORATION OF SUBSTRATES BASF AG (DE) 1997-06-04 EP disclosed
US-5474580-A Applying to substrate a mixture of water and water soluble dye containing nucleophilic and electrophilic group, heating or basifying to cause molecule of dyes to join together ZENECA LIMITED (GB) 1995-12-12 US disclosed
EP-0639237-A1 DYES, THEIR PREPARATION AND USE IN THE COLORATION OF SUBSTRATES. ZENECA LTD (GB) 1995-02-22 EP disclosed
WO-1994012717-A1 DYES, THEIR PREPARATION AND USE IN THE COLORATION OF SUBSTRATES ZENECA LIMITED (GB) 1994-06-09 WO disclosed