SCHEMBL1719219

SCHEMBL1719219

O=C(NCc1ccccc1)c1nn2cc(Br)cnc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.65
TDP1 Q9NUW8 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.63
APOBEC3A P31941 3/20 0.54
MAPT P10636 1/20 0.51
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.47
ADORA2A P29274 1/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGDS O60760 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 2/20 0.42

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
SCHEMBL1719446 0.83 POLB (0.50) POLBTDP1SMN1; SMN2APOBEC3AMAPT
Benzylamine SCHEMBL1719444 0.80 POLB (0.51) POLBTDP1SMN1; SMN2APOBEC3AMAPT
SCHEMBL1718847 0.76 POLB (0.79) POLBTDP1SMN1; SMN2APOBEC3AMAPT
SCHEMBL3283065 0.76 TDP1 (0.60) POLBTDP1SMN1; SMN2APOBEC3AMAPT
SCHEMBL12266355 0.72 MMP13 (0.59) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL31026201 0.72 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1PKMKMT2AGAA
SCHEMBL3817220 0.68 KDM4E (0.57) POLBSMN1; SMN2APOBEC3AMAPTKDM4E
SCHEMBL31241108 0.66 RAB9A (0.60) POLBSMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL1269593 0.66 RAB9A (0.60) POLBSMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL23534535 0.66 TDP1 (0.51) POLBTDP1SMN1; SMN2APOBEC3AMAPT

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