SCHEMBL1718966

SCHEMBL1718966

CCCNC(=O)c1nn2cc(Br)cnc2c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 1.00
TDP1 Q9NUW8 5/20 1.00
SMN1; SMN2 Q16637 5/20 0.86
MAPT P10636 1/20 0.78
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.46
RAB9A P51151 5/20 0.41
APOBEC3A P31941 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ESR2 Q92731 2/20 0.40
NR4A1 P22736 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1718373 0.93 POLB (1.00) POLBTDP1SMN1; SMN2MAPTKDM4E
SCHEMBL1719219 0.79 POLB (0.65) POLBTDP1SMN1; SMN2MAPTKDM4E
SCHEMBL3283065 0.76 TDP1 (0.60) POLBTDP1SMN1; SMN2MAPTKDM4E
SCHEMBL19148277 0.70 TDP1 (0.54) POLBTDP1SMN1; SMN2MAPTKDM4E
SCHEMBL5576498 0.69 RAB9A (0.55) POLBTDP1SMN1; SMN2MAPTKDM4E
SCHEMBL23534262 0.68 POLB (0.52) POLBTDP1SMN1; SMN2MAPTKDM4E
SCHEMBL4206864 0.68 TDP1 (0.57) POLBTDP1SMN1; SMN2MAPTKDM4E
SCHEMBL23534535 0.68 TDP1 (0.51) POLBTDP1SMN1; SMN2MAPTKDM4E
SCHEMBL1718574 0.68 RECQL (0.74) POLBTDP1SMN1; SMN2MAPTKDM4E
Benzylamine SCHEMBL1719444 0.68 POLB (0.51) POLBTDP1SMN1; SMN2MAPTKDM4E

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
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed