SCHEMBL370199

SCHEMBL370199

COC(=O)c1cccc(Oc2ccccc2F)c1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(Cl)cc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.39
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
F11 P03951 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSA P10619 2/20 0.34

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
SCHEMBL370200 0.90 BRD4 (0.37) BRD4KMT2AMEN1MAPTF11
SCHEMBL370635 0.86 BRD4 (0.40) BRD4KMT2AMEN1MAPTTDP1
SCHEMBL370383 0.81 CYP1A2 (0.36) KMT2AMEN1F11KDM4EHTT
SCHEMBL368800 0.81 FFAR1 (0.35) KMT2AKDM4EHTTTDP1CYP1A2
SCHEMBL370636 0.80 BRD4 (0.37) BRD4LMNA
SCHEMBL369275 0.80 P2RX3 (0.39) KDM4ETDP1CYP1A2CYP2C19ALDH1A1
SCHEMBL1390419 0.79 LMNA (0.43) KMT2AMEN1MAPTCYP1A2CYP2C19
SCHEMBL368801 0.76 P2RX3 (0.42) LMNA
SCHEMBL370348 0.76 MRGPRX4 (0.42) BRD4
Formic Acid SCHEMBL27924258 0.74 BRD4 (0.39) BRD4KMT2AMEN1MAPTHPGD

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed