SCHEMBL7696982

SCHEMBL7696982

CC(C)Cc1ccccc1CN1CC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33

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
SCHEMBL15973191 0.80 KMT2A (0.58) EPHX2DDB1CRBNMAPTMEN1
SCHEMBL8633466 0.76 CYP1A2 (0.50) EPHX2DDB1CRBNMAPTMEN1
SCHEMBL6938726 0.76 EPHX2 (0.42) EPHX2DDB1CRBNMAPTMEN1
SCHEMBL11570834 0.76 MPO (0.49) EPHX2DDB1CRBNALDH1A1KDM4E
SCHEMBL8128225 0.74 DAO (0.48) MAPTPOLBCYP2D6
SCHEMBL9850086 0.72 DDB1 (0.69) EPHX2DDB1CRBNMEN1KMT2A
SCHEMBL1011633 0.72 DDB1 (0.69) EPHX2DDB1CRBNMEN1KMT2A
SCHEMBL9850110 0.70 DDB1 (0.67) EPHX2DDB1CRBNMEN1KMT2A
SCHEMBL840750 0.70 GABRA1 (0.64) LMNAGABRA1GABRB2CYP2D6
SCHEMBL839300 0.69 TOP2A (0.46) EPHX2DDB1CRBNMAPTLMNA

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
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed