SCHEMBL23978639

SCHEMBL23978639

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.42
MAPK8 P45983 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CSNK1D P48730 2/20 0.36
CTSD P07339 1/20 0.36
EPHX2 P34913 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
LPAR1 Q92633 1/20 0.36
CNR2 P34972 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
POLB P06746 1/20 0.35
PYGL P06737 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL23978981 0.84 POLB (0.48) KCNQ2MAPK8MEN1KMT2APOLB
SCHEMBL23978644 0.84 HPGD (0.45) MEN1KMT2AALDH1A1POLB
SCHEMBL26494992 0.82 USP2 (0.41) KCNQ2ALDH1A1CTSDEPHX2
SCHEMBL30279388 0.82 USP2 (0.41) KCNQ2ALDH1A1CTSDEPHX2
SCHEMBL24803335 0.82 USP2 (0.41) KCNQ2ALDH1A1CTSDEPHX2
SCHEMBL30279468 0.81 KCNQ2 (0.44) KCNQ2MAPK8MEN1KMT2AALDH1A1
SCHEMBL23978813 0.81 KCNQ2 (0.44) KCNQ2MAPK8MEN1KMT2AALDH1A1
SCHEMBL26107107 0.81 KCNQ2 (0.44) KCNQ2MAPK8MEN1KMT2AALDH1A1
SCHEMBL30279367 0.80 CTSL (0.45) KCNQ2MEN1KMT2AALDH1A1ITGB1
SCHEMBL23978812 0.80 CTSL (0.45) KCNQ2MEN1KMT2AALDH1A1ITGB1

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