SCHEMBL8788475

SCHEMBL8788475

NC(=O)N1C(=O)C(=C(OC(=O)C=CC(=O)O)c2cccs2)c2cc(F)c(Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
EGFR P00533 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 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
SCHEMBL8788471 1.00 ALDH1A1 (0.34) ALDH1A1MAPTHPGDMEN1EGFR
SCHEMBL8787335 0.92 MAPT (0.33) ALDH1A1MAPTHPGDMEN1EGFR
SCHEMBL8787340 0.92 MAPT (0.33) ALDH1A1MAPTHPGDMEN1EGFR
SCHEMBL8786989 0.90 LMNA (0.32) ALDH1A1MAPTHPGDMEN1EGFR
SCHEMBL8788511 0.88
SCHEMBL8787758 0.86 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL8787752 0.86 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL8787452 0.86 SCN5A (0.33) NPC1
SCHEMBL8787449 0.86 SCN5A (0.33) NPC1
SCHEMBL8788608 0.85 APP (0.32) ALDH1A1MAPTHPGDMEN1EGFR

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