SCHEMBL8601752

SCHEMBL8601752

COC(=O)Cn1cc(-c2cccc(Cl)c2)c(=O)c2c(O)cc(OC)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 1.00
ABL1 P00519 1/20 0.41
ABL2 P42684 1/20 0.41
SRC P12931 1/20 0.41
NOD1 Q9Y239 3/20 0.39
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
TSHR P16473 2/20 0.38
NOD2 Q9HC29 1/20 0.38
BRCA1 P38398 1/20 0.38
MAPT P10636 2/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
GRIN2B Q13224 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL8578347 0.92 EGFR (0.85) EGFRABL1ABL2SRCNOD1
SCHEMBL8626881 0.92 EGFR (0.84) EGFRABL1ABL2SRCMAPT
SCHEMBL8575444 0.91 EGFR (0.84) EGFRABL1ABL2SRCTSHR
SCHEMBL8576546 0.90 EGFR (0.82) EGFRABL1ABL2SRCPDE4D
SCHEMBL8577298 0.88 EGFR (0.78) EGFRABL1ABL2SRCTSHR
SCHEMBL8579701 0.86 EGFR (0.79) EGFRABL1ABL2SRC
SCHEMBL8574540 0.83 EGFR (1.00) EGFRABL1ABL2SRCTSHR
SCHEMBL8576451 0.82 EGFR (1.00) EGFRABL1ABL2SRCTSHR
SCHEMBL8575324 0.82 EGFR (0.75) EGFRABL1ABL2SRCTSHR
SCHEMBL8572765 0.80 EGFR (0.75) EGFRABL1ABL2SRCTSHR

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
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
WO-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO disclosed