SCHEMBL7205744

SCHEMBL7205744

C[C@H]1[C@@H](Nc2ccnc3cc(Cl)ccc23)CCC[C@H]1Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.67
KMT5C Q86Y97 2/20 0.67
NSD2 O96028 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 1/20 0.56
NR4A2 P43354 1/20 0.56
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CCR1 P32246 1/20 0.50
FERMT2 Q96AC1 1/20 0.48

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
SCHEMBL7205748 1.00 KMT5B (0.67) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL9267916 0.93 KMT5B (0.76) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL9540195 0.90 KMT5B (0.81) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL9271568 0.90 KMT5B (0.81) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL1613404 0.90 KMT5B (0.81) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL4810793 0.87 KMT5B (0.71) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL6861429 0.84 KMT5B (0.63) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL7837345 0.83 KMT5B (0.70) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL7826415 0.83 KMT5B (0.70) KMT5BKMT5CNSD2KMT2AMEN1
SCHEMBL30817045 0.83 KMT5B (0.70) KMT5BKMT5CNSD2KMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765313-B1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS HOFFMANN LA ROCHE (CH) 2003-08-20 EP claimed
EP-0765313-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-02 EP claimed
WO-1995035287-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F.HOFFMANN-LA ROCHE AG (CH) 1995-12-28 WO claimed
EP-0765313-B1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS HOFFMANN LA ROCHE (CH) 2003-08-20 EP disclosed
US-5736557-A MICROBIOCIDE EFFECTIVE AGAINST CHLOROQUINE-RESISTANT AND CHLOROQUINE-SENSITIVE STRAINS OF PLASMODIUM FALCIPARUM HOFFMAN-LA ROCHE, INC. (US) 1998-04-07 US disclosed
EP-0765313-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-02 EP disclosed
WO-1995035287-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F.HOFFMANN-LA ROCHE AG (CH) 1995-12-28 WO disclosed