SCHEMBL8323006

SCHEMBL8323006

COC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTGER1 P34995 1/20 0.55
PTGER4 P35408 1/20 0.55
PTGER3 P43115 1/20 0.55
PTGER2 P43116 1/20 0.55
LMNA P02545 6/20 0.52
MAPT P10636 4/20 0.52
GAA P10253 2/20 0.52
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50

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
SCHEMBL8323003 1.00 GCK (0.60) GCKKMT2AMEN1POLBPKM
SCHEMBL8321297 0.88 GCK (0.71) GCKKMT2APKMPTGER1PTGER4
SCHEMBL8321293 0.88 GCK (0.71) GCKKMT2APKMPTGER1PTGER4
SCHEMBL8320332 0.85 PTGER4 (0.54) GCKKMT2AMEN1POLBPKM
SCHEMBL8320330 0.85 PTGER4 (0.54) GCKKMT2AMEN1POLBPKM
SCHEMBL7774977 0.84 KMT2A (0.62) KMT2AMEN1POLBPKMBLM
SCHEMBL7774973 0.84 KMT2A (0.62) KMT2AMEN1POLBPKMBLM
SCHEMBL8323794 0.82 MEN1 (0.57) KMT2AMEN1POLBPKMBLM
SCHEMBL8323795 0.82 MEN1 (0.57) KMT2AMEN1POLBPKMBLM
SCHEMBL8321308 0.81 LMNA (0.60) KMT2AMEN1POLBPKMBLM

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed