SCHEMBL20146020

SCHEMBL20146020

COCCCOc1c(Br)ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
SLC6A4 P31645 2/20 0.31
TSHR P16473 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 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
SCHEMBL16035409 0.94 KMT2A (0.36) KDM4EALDH1A1USP2CYP1A2CYP2D6
SCHEMBL16035002 0.79 HDAC3 (0.38) KDM4EALDH1A1USP2CYP1A2CYP2D6
SCHEMBL8526820 0.76 KMT2A (0.44) KDM4EALDH1A1USP2KMT2AMAPT
SCHEMBL16035156 0.74 MEN1 (0.40) KMT2AMEN1L3MBTL1RAB9A
SCHEMBL9733862 0.74 HSD17B10 (0.37) KDM4EALDH1A1USP2CYP1A2CYP2D6
SCHEMBL19512251 0.73 KDM4E (0.40) KDM4EALDH1A1USP2CYP1A2CYP2D6
SCHEMBL17559391 0.70 KMT2A (0.44) ALDH1A1USP2TDP1KMT2AMAPT
SCHEMBL587574 0.69 KMT2A (0.44) KDM4EALDH1A1USP2KMT2AMAPT
SCHEMBL9304224 0.68 MAPT (0.51) KDM4EALDH1A1USP2KMT2AMAPT
SCHEMBL27835926 0.66 L3MBTL1 (0.36) KDM4EALDH1A1USP2CYP1A2CYP2D6

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-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed