SCHEMBL7781201

SCHEMBL7781201

CCOC(=O)CC(c1cccc(NS(=O)(=O)c2cccc(NC(=N)N)c2)c1)N(C(C)=O)c1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 3/20 0.38
F10 P00742 3/20 0.38
MAPT P10636 2/20 0.38
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PRSS1 P07477 1/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 5/20 0.36

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
SCHEMBL7197225 0.81 MAPT (0.38) PKMLMNASMN1; SMN2F2F10
SCHEMBL7187012 0.79 MAPT (0.47) PKMLMNASMN1; SMN2F2F10
SCHEMBL7194809 0.79 F10 (0.43) LMNASMN1; SMN2F2F10MAPT
SCHEMBL7788182 0.76 ALDH1A1 (0.43) PKMLMNASMN1; SMN2F2F10
SCHEMBL7195684 0.75 AURKA (0.44) PKMLMNASMN1; SMN2F2F10
SCHEMBL7788773 0.75 ITGB3 (0.42) PKMLMNASMN1; SMN2F2F10
SCHEMBL13715863 0.74 PKM (0.46) PKMLMNASMN1; SMN2F2F10
SCHEMBL7788290 0.73 ITGB3 (0.43) PKMCA1CA2MAPK1MEN1
SCHEMBL7863259 0.73 PKM (0.46) PKMLMNASMN1; SMN2F2F10
SCHEMBL7193159 0.72 MEN1 (0.47) LMNASMN1; SMN2MAPTMAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed