SCHEMBL8845447

SCHEMBL8845447

CN(CCCNc1nc(Cl)nc(Cl)n1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.46
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NFKB1 P19838 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL8845458 0.83 KMT2A (0.43) KMT2APOLBALDH1A1TDP1MAPT
SCHEMBL12513085 0.82 HTR7 (0.47) ADKKMT2ANPC1POLBSLC2A1
SCHEMBL8845630 0.80 KMT2A (0.47) KMT2ARAD52ALDH1A1TDP1MAPT
SCHEMBL24622129 0.77 KMT2A (0.51) KMT2A
SCHEMBL5486033 0.77 KMT2A (0.51) KMT2A
SCHEMBL25809403 0.73 KMT2A (0.51) KMT2ARAD52MAPT
SCHEMBL20511434 0.73 HPGD (0.62) NFKB1
SCHEMBL11988210 0.73 SYK (0.43) ADKKMT2ANPC1POLBSLC2A1
SCHEMBL11654298 0.72 LMNA (0.53) KMT2APOLBNFKB1ALDH1A1MAPT
SCHEMBL1268734 0.72 L3MBTL1 (0.47) ADKKMT2AALDH1A1MAPTTSHR

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 4 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
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