SCHEMBL8845458

SCHEMBL8845458

CCN(CCCNc1nc(Cl)nc(Cl)n1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNH3 Q9ULD8 1/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
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
SCHEMBL8845630 0.97 KMT2A (0.47) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL11654298 0.86 LMNA (0.53) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL8845447 0.83 ADK (0.46) KMT2AMAPTHTTTDP1ALDH1A1
SCHEMBL8845778 0.77 TSHR (0.44) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL25809403 0.74 KMT2A (0.51) KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL11719130 0.74 TSHR (0.48) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL10453658 0.73 TSHR (0.59) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL11142653 0.73 TSHR (0.59) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL4874795 0.72 KMT2A (0.57) KMT2AMAPTGAALMNA
SCHEMBL24622129 0.72 KMT2A (0.51) KMT2ALMNA

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 2 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
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