SCHEMBL4782813

SCHEMBL4782813

Cc1cccc2c1c(C(=O)C(N)=O)c(C)n2C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 17/20 0.45
PLA2G1B P04054 6/20 0.42
PLA2G10 O15496 2/20 0.42
PLA2G5 P39877 2/20 0.42
PLA2G2E Q9NZK7 1/20 0.42
SLC9A1 P19634 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL28268477 0.87 EGFR (0.43) PLA2G10SLC9A1KMT2AALDH1A1LMNA
SCHEMBL27798472 0.82 EGFR (0.41) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL14306651 0.77 PLA2G2A (0.71) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL1253404 0.76 EGFR (0.42) SLC9A1KMT2AALDH1A1LMNAMAPT
SCHEMBL30960119 0.76 PLA2G2A (0.62) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
Hydrochloric Acid SCHEMBL1504224 0.75 EGFR (0.41) SLC9A1KMT2AALDH1A1LMNAMAPT
SCHEMBL17699703 0.72 EGFR (0.41) SLC9A1KMT2AALDH1A1MAPTPKM
SCHEMBL5799161 0.71 EGFR (0.41) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL28434877 0.71 SLC9A1 (0.41) SLC9A1KMT2AALDH1A1LMNAMAPT
SCHEMBL13727308 0.71 CD44 (0.40) SLC9A1ALDH1A1LMNAMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3024926-A1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-06-01 EP disclosed
WO-2015013653-A1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-01-29 WO disclosed
WO-2008013823-A2 CO-CRYSTALS OF (2R-TRANS)-6-CHLORO-5-[[4-[(4-FLUOROPHENYL)METHYL]-2,5-DIMETHYL-1-PIPERAZINYL]CARBONYL]-N,N,1-TRIMETHYL-ALPHA-OXO-1H-INDOLE-3-ACETAMIDE SCIOS INC. (US) 2008-01-31 WO disclosed