SCHEMBL6506743

SCHEMBL6506743

Nc1ccc(Oc2ccc(C(F)(F)F)nc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.47
BRCA1 P38398 1/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KEAP1 Q14145 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
THRB P10828 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
SCN9A Q15858 5/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
LMNA P02545 1/20 0.38
CHRNB2 P17787 1/20 0.36

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
SCHEMBL25383135 0.83 ALDH1A1 (0.50) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL29421253 0.81 TRPV4 (0.58) KDM4EMEN1KMT2APOLBTRPV4
SCHEMBL114542 0.81 TRPV4 (0.58) KDM4EMEN1KMT2APOLBTRPV4
SCHEMBL6305053 0.81 KDM4E (0.71) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL24400400 0.81 LOXL2 (0.40) KDM4EMEN1KMT2ARAB9AMAPT
Methane SCHEMBL28831878 0.79 TRPV4 (0.56) KDM4EMEN1KMT2APOLBTRPV4
SCHEMBL24400539 0.78 ALDH1A1 (0.62) KDM4EPOLBRAB9AALDH1A1MAPT
SCHEMBL20931746 0.77 KDM4E (0.79) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL20406377 0.76 BLM (0.48) TRPV4SCN9A
SCHEMBL16396910 0.76 CYP1A2 (0.42) KDM4EMEN1KMT2APOLBRAB9A

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