SCHEMBL23978676

SCHEMBL23978676

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL23978642 0.77 LNPEP (0.39) KDM4E
SCHEMBL23978630 0.75 FGFR1 (0.34)
SCHEMBL23979131 0.69 KCNQ2 (0.39) LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL30279379 0.67 ABL1 (0.46) KDM4ELMNAALDH1A1TSHRGAA
SCHEMBL8295820 0.67 ABL1 (0.46) KDM4ELMNAALDH1A1TSHRGAA
SCHEMBL23518398 0.66 ITGB1 (0.38) LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL23978682 0.65 LNPEP (0.42) ALDH1A1GAA
SCHEMBL4593067 0.64 L3MBTL1 (0.48) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL10055986 0.63 CA1 (0.50) SMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL20050668 0.63 PRKCZ (0.49) KDM4ELMNASMN1; SMN2ALDH1A1TSHR

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