SCHEMBL696551

SCHEMBL696551

COc1ccc(Cn2ccc(-c3cc(C(N)=O)ccn3)n2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.45
JMJD6 Q6NYC1 4/20 0.45
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CYP2C9 P11712 1/20 0.41
KIF11 P52732 1/20 0.41
PROKR1 Q8TCW9 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KLKB1 P03952 1/20 0.39

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
SCHEMBL756420 0.75 EPHX2 (0.45) EPHX2MEN1KMT2AALDH1A1KLKB1
SCHEMBL696552 0.74 SMN1; SMN2 (0.53) EPHX2ALDH1A1LMNANPSR1KLKB1
SCHEMBL756846 0.68 STIM1 (0.62) EPHX2KDM4EALDH1A1LMNAKLKB1
SCHEMBL758944 0.68 STIM1 (0.76) EPHX2KDM4EALDH1A1LMNANPSR1
SCHEMBL756919 0.68 STIM1 (0.50) EPHX2KDM4ELMNANPSR1KLKB1
SCHEMBL758485 0.68 STIM1 (0.54) EPHX2LMNANPSR1KLKB1
SCHEMBL761267 0.67 STIM1 (0.49) EPHX2KMT2AKDM4ELMNANPSR1
SCHEMBL755784 0.67 STIM1 (0.61) EPHX2ALDH1A1LMNANPSR1KLKB1
SCHEMBL760682 0.67 STIM1 (0.54) EPHX2KDM4EALDH1A1LMNANPSR1
SCHEMBL1758329 0.67 KDM1A (0.55) KDM1AHDAC1HDAC2HDAC8HDAC6

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-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed