SCHEMBL8788043

SCHEMBL8788043

[CH2]OC(=C1C(=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 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
EGFR P00533 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MCL1 Q07820 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8788038 1.00 KMT2A (0.34) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL8787717 0.91 KMT2A (0.36) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL8787737 0.88 KMT2A (0.34) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL8787746 0.88 KMT2A (0.36) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL8787742 0.88 KMT2A (0.34) KMT2AALDH1A1MEN1MAPTPOLB
Ilonidap SCHEMBL8587849 0.86 ALDH1A1 (0.35) KMT2AALDH1A1MEN1MAPTPOLB
Ilonidap SCHEMBL8587853 0.86 ALDH1A1 (0.35) KMT2AALDH1A1MEN1MAPTPOLB
Ilonidap SCHEMBL42518 0.86 ALDH1A1 (0.35) KMT2AALDH1A1MEN1MAPTPOLB
Ilonidap SCHEMBL9284472 0.85 ALDH1A1 (0.34) KMT2AALDH1A1MEN1MAPTPOLB
Ilonidap SCHEMBL8788134 0.85 ALDH1A1 (0.34) KMT2AALDH1A1MEN1MAPTPOLB

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