SCHEMBL18229

SCHEMBL18229

N#Cc1ccnc(SCC(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.35
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CTSS P25774 4/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
RECQL P46063 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL716823 0.75 L3MBTL1 (0.33) BRAFKDRKDM4EALOX15ALDH1A1
SCHEMBL713240 0.75 ALOX5AP (0.37) KDM4EALOX15ALDH1A1KMT2AHSD17B10
SCHEMBL13736392 0.74 MYC (0.34) KDRKDM4ECTSSALOX15ALDH1A1
SCHEMBL2964048 0.72 KDM4E (0.42) CTSKKDM4EALDH1A1MEN1GAA
SCHEMBL8752031 0.72 ALDH1A1 (0.31) CTSKPOLBATMALOX15ALDH1A1
SCHEMBL25211118 0.69 CTSS (0.39) CTSKCTSSALDH1A1MEN1MAPT
SCHEMBL30400101 0.69 CTSS (0.39) CTSKCTSSALDH1A1MEN1MAPT
SCHEMBL17703 0.68 MALT1 (0.42) CTSKCTSS
SCHEMBL24743486 0.66 CTSK (0.40) CTSKKDM4ECTSSALDH1A1GAA
SCHEMBL12933370 0.66 HDAC3 (0.40) ALOX15ALDH1A1TSHRKMT2ANPSR1

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-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed