SCHEMBL6529529

SCHEMBL6529529

Cn1nc(Oc2ccc(N)cn2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
KDM4E B2RXH2 5/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KEAP1 Q14145 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRCA1 P38398 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
MAPK1 P28482 1/20 0.33
TSHR P16473 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
SCHEMBL6507122 0.77 KMT2A (0.50) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL1832494 0.77 PKM (0.43) PKMKDM4ERAB9AMEN1KMT2A
SCHEMBL9474164 0.73 PKM (0.45) PKMKDM4ERAB9AMEN1KMT2A
SCHEMBL13530471 0.72 PKM (0.44) PKMRAB9AMEN1KMT2ANPC1
SCHEMBL8111889 0.72 PKM (0.55) PKMKDM4EPOLBRAB9AMEN1
SCHEMBL3382600 0.70 PKM (0.57) PKMKDM4ERAB9AMEN1KMT2A
SCHEMBL13098615 0.70 KEAP1 (0.47) PKMKDM4ERAB9AMEN1KMT2A
SCHEMBL5227374 0.69 POLB (0.45) PKMKDM4EPOLBMEN1KMT2A
SCHEMBL16612787 0.69 PKM (0.49) PKMRAB9AMEN1KMT2AALDH1A1
SCHEMBL8932318 0.69 PKM (0.43) PKMKDM4ERAB9AMEN1KMT2A

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
WO-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 WO disclosed