SCHEMBL18639760

SCHEMBL18639760

CC(C)c1ccc(N2CCC(C(=O)NCC/C3=C/CCCNc4ccc(Cl)cc43)C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MET P08581 2/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
ATM Q13315 1/20 0.32
P2RX7 Q99572 3/20 0.31
LIPE Q05469 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL18643350 0.91 MET (0.39) HDAC1HDAC8HDAC6METAXL
SCHEMBL18639761 0.90 ALOX15 (0.41) ALDH1A1MEN1LMNAKMT2AATM
SCHEMBL18643267 0.85 HDAC1 (0.35) HDAC1HDAC8HDAC6ATMTDP1
SCHEMBL892549 0.75 MTNR1A (0.52) ALDH1A1LMNAKMT2A
SCHEMBL18639758 0.73 CCNA2 (0.34) CCNA2CDK2CCNA1HDAC6ALDH1A1
SCHEMBL892580 0.67 MTNR1A (0.55) ALDH1A1LMNA
SCHEMBL12794113 0.67 HDAC6 (0.46) HDAC1HDAC8HDAC6METALDH1A1
SCHEMBL10274768 0.67 MTNR1A (0.53) ALDH1A1LMNA
SCHEMBL892306 0.66 SNCA (0.54) ALDH1A1MEN1LMNAKMT2A
SCHEMBL891522 0.65 MTNR1A (0.55) LMNA

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-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed