SCHEMBL22147371

SCHEMBL22147371

CCCCCNc1ccc2[nH]c(-c3ccc(OCCOCCOc4ccc(-c5nc6cc(N7CCCC7)ccc6[nH]5)nc4)cn3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 3/20 0.43
RUNX1 Q01196 2/20 0.41
FGFR1 P11362 7/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
SLCO2B1 O94956 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
BCL2L1 Q07817 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL125213 0.86 CBFB (0.46) CBFBRUNX1FGFR1DRD2DRD3
SCHEMBL126325 0.76 CBFB (0.52) CBFBRUNX1FGFR1DRD2DRD3
SCHEMBL22147402 0.76 CBFB (0.53) CBFBRUNX1FGFR1MAPTKMT2A
SCHEMBL19997143 0.75 CBFB (0.35) CBFBRUNX1FGFR1DRD2DRD3
SCHEMBL22147376 0.73 CBFB (0.35) CBFBRUNX1FGFR1DRD2DRD3
SCHEMBL179145 0.73 CBFB (0.56) CBFBRUNX1FGFR1MAPTKMT2A
SCHEMBL179150 0.73 CBFB (0.56) CBFBRUNX1FGFR1MAPTKMT2A
SCHEMBL179144 0.73 CBFB (0.56) CBFBRUNX1FGFR1MAPTKMT2A
SCHEMBL15780000 0.72 CBFB (0.53) CBFBRUNX1MAPTKMT2ASMN1; SMN2
SCHEMBL179112 0.71 CBFB (0.62) CBFBRUNX1KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 EP disclosed