SCHEMBL1718100

SCHEMBL1718100

O=C(Nc1ccc(Br)cn1)c1cc2ncc(Br)cn2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
KDM4E B2RXH2 6/20 0.63
HSD17B10 Q99714 4/20 0.63
RXFP1 Q9HBX9 2/20 0.63
POLB P06746 8/20 0.61
TDP1 Q9NUW8 8/20 0.61
RAB9A P51151 6/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ESR2 Q92731 3/20 0.61
NR4A1 P22736 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GAA P10253 2/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 2/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 2/20 0.59
RECQL P46063 1/20 0.57
APOBEC3A P31941 3/20 0.57

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
SCHEMBL13856607 0.76 POLB (1.00) MEN1KMT2AKDM4EHSD17B10RXFP1
SCHEMBL1011158 0.76 TDP1 (0.63) MEN1KMT2AKDM4EHSD17B10RXFP1
SCHEMBL1061821 0.74 RECQL (0.67) MEN1KMT2AKDM4EHSD17B10RXFP1
SCHEMBL1718847 0.74 POLB (0.79) MEN1KMT2AKDM4EHSD17B10RXFP1
SCHEMBL1718574 0.72 RECQL (0.74) MEN1KMT2AKDM4EHSD17B10RXFP1
SCHEMBL15292427 0.69 ALDH1A1 (0.97) KMT2AKDM4EPOLBTDP1ALDH1A1
SCHEMBL1866973 0.69 NPC1 (0.67) MEN1KMT2AKDM4ERXFP1POLB
SCHEMBL928041 0.68 ALDH1A1 (1.00) KMT2AKDM4EPOLBTDP1ALDH1A1
SCHEMBL15292429 0.68 ALDH1A1 (1.00) KMT2AKDM4EPOLBTDP1ALDH1A1
SCHEMBL1080204 0.68 RECQL (0.59) MEN1KMT2AKDM4EHSD17B10RXFP1

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