SCHEMBL28243235

SCHEMBL28243235

COc1ccc(CN2C(=O)c3ccccc3C2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HKDC1 Q2TB90 1/20 0.54
CASP3 P42574 2/20 0.53
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
APAF1 O14727 1/20 0.49
GAA P10253 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
RAB9A P51151 1/20 0.49
NR1H3 Q13133 1/20 0.48
P2RX4 Q99571 1/20 0.48
FFAR1 O14842 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CMA1 P23946 1/20 0.46

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
SCHEMBL2644150 0.85 KDM4E (0.66) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL31370999 0.85 KDM4E (0.53) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL30296389 0.85 KDM4E (0.66) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL2643348 0.83 KDM4E (0.54) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL2644601 0.83 KDM4E (0.51) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL2644659 0.82 FFAR1 (0.55) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL2643782 0.81 KDM4E (0.52) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL17366179 0.81 MDM2 (0.55) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL30296312 0.80 MEN1 (0.51) KDM4EMEN1KMT2AHKDC1CASP3
SCHEMBL2643804 0.80 MEN1 (0.51) KDM4EMEN1KMT2AHKDC1CASP3

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
CN-108602805-A Isoindoline, azaisoindoline, indenone and the dihydro azepine indone inhibitor of MNK1 and MNK2 效应治疗股份有限公司 2018-09-28 CN disclosed