SCHEMBL8787014

SCHEMBL8787014

COC(=O)CCC(=O)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MCL1 Q07820 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
TP53 P04637 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL8787018 1.00 KMT2A (0.34) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9449521 0.92 ALDH1A1 (0.34) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9449516 0.92 ALDH1A1 (0.34) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8787363 0.91 SMN1; SMN2 (0.31) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8787717 0.90 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8787731 0.90 HDAC1 (0.34) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL8787335 0.87 MAPT (0.33) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8787340 0.87 MAPT (0.33) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8787746 0.85 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL8788043 0.85 KMT2A (0.34) KMT2AMAPTMEN1ALDH1A1LMNA

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-0681580-B1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES PFIZER (US) 1997-07-09 EP disclosed
US-5270331-A Prodrugs of antiinflammatory 3-acyl-2-oxindole-1-carboxamides PFIZER, INC. (US) 1993-12-14 US disclosed