SCHEMBL23978724

SCHEMBL23978724

NC(=O)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1ccccc1)C2=O)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 13/20 0.41
ICAM1 P05362 13/20 0.41
ITGAL P20701 13/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
DHPS P49366 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 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
SCHEMBL23978783 0.97 ITGB2 (0.44) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL23978797 0.95 ITGB2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL23978803 0.88 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL24804257 0.88 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL30083854 0.85 EPHX2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL26477771 0.85 EPHX2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL24804232 0.85 EPHX2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL23978809 0.84 ITGB2 (0.37) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL24804676 0.84 ITGB2 (0.37) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL23978733 0.84 ITGB2 (0.37) ITGB2ICAM1ITGALSMN1; 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