SCHEMBL6967175

SCHEMBL6967175

O=CNc1c(N2CCN(c3ccccc3)CC2)n[nH]c1-c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 6/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 4/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
IGF1R P08069 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.34
SLC6A7 Q99884 1/20 0.34
GAA P10253 1/20 0.34
TACR3 P29371 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL6959295 0.92 MEN1 (0.42) HPGDMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL6966641 0.89 TP53 (0.41) KDM4EHPGDMAPTNPSR1KMT2A
SCHEMBL6966146 0.88 ABCG2 (0.43) KDM4EHPGDMAPTPOLBKMT2A
SCHEMBL6956776 0.86 MAP4K1 (0.42) KDM4EHPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL6956631 0.86 MAPT (0.44) KDM4EHPGDHSD17B10MAPTPOLB
SCHEMBL6961941 0.84 MAPT (0.42) KDM4EMAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL6968659 0.83 MAP4K1 (0.46) KDM4EHPGDHSD17B10MAPTNPSR1
SCHEMBL6955333 0.81 POLB (0.42) KDM4EHSD17B10MAPTPOLBKMT2A
SCHEMBL6963927 0.81 ABCG2 (0.45) MAPTPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6961528 0.81 HTR7 (0.48) KDM4EHPGDHSD17B10MAPTNPSR1

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-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed