SCHEMBL23979131

SCHEMBL23979131

CCOC(=O)[C@@H](CCC(=O)c1c(Cl)ccc(NC(=O)Cc2cccc(Cl)c2)c1Cl)CNC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.39
EPHX2 P34913 1/20 0.38
MAPK8 P45983 2/20 0.37
MAPK9 P45984 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CSNK1D P48730 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.33
CTSD P07339 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
SCHEMBL23978832 0.82 KCNQ2 (0.43) KCNQ2EPHX2MAPK8MAPK9MEN1
SCHEMBL23978987 0.80 CTSL (0.40) KCNQ2MAPK8MEN1KMT2AALDH1A1
SCHEMBL23978639 0.78 KCNQ2 (0.42) KCNQ2EPHX2MAPK8MEN1KMT2A
SCHEMBL23978985 0.78 SLC1A3 (0.38) KCNQ2MEN1KMT2ALMNAMAPT
SCHEMBL23978894 0.73 KCNQ2 (0.54) KCNQ2EPHX2MAPK8MEN1KMT2A
SCHEMBL23978674 0.73 KCNQ2 (0.56) KCNQ2EPHX2MAPK8MEN1KMT2A
SCHEMBL30336898 0.72 KCNQ2 (0.54) KCNQ2EPHX2MAPK8MEN1KMT2A
SCHEMBL23978834 0.72 KCNQ2 (0.54) KCNQ2EPHX2MAPK8MEN1KMT2A
SCHEMBL24803414 0.70 KCNQ2 (0.47) KCNQ2EPHX2MAPK8MEN1KMT2A
SCHEMBL23978676 0.69 KDM4E (0.33) KMT2AALDH1A1SMN1; SMN2LMNA

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed