SCHEMBL1719446

SCHEMBL1719446

O=C(ONCc1ccccc1)c1nn2cc(Br)cnc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 4/20 0.41
APOBEC3A P31941 3/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
APOBEC3G Q9HC16 1/20 0.39
LMNA P02545 1/20 0.37
NR4A1 P22736 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ESR2 Q92731 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL1719219 0.83 POLB (0.65) POLBTDP1SMN1; SMN2KDM4EAPOBEC3A
Benzylamine SCHEMBL1719444 0.77 POLB (0.51) POLBTDP1SMN1; SMN2KDM4EAPOBEC3A
SCHEMBL3283065 0.73 TDP1 (0.60) POLBTDP1SMN1; SMN2KDM4EAPOBEC3A
SCHEMBL1718373 0.65 POLB (1.00) POLBTDP1SMN1; SMN2KDM4EAPOBEC3A
SCHEMBL1718847 0.64 POLB (0.79) POLBTDP1SMN1; SMN2KDM4EAPOBEC3A
SCHEMBL27419910 0.64 ALDH1A1 (0.53) POLBTDP1SMN1; SMN2RAB9AMAPT
SCHEMBL23534262 0.64 POLB (0.52) POLBTDP1SMN1; SMN2KDM4ERAB9A
SCHEMBL23534535 0.63 TDP1 (0.51) POLBTDP1SMN1; SMN2KDM4EAPOBEC3A
SCHEMBL6429495 0.62 THRB (0.48) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL11176841 0.62 THRB (0.48) SMN1; SMN2LMNAALDH1A1KMT2AMEN1

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