SCHEMBL7700846

SCHEMBL7700846

CCc1c(CN)c2cc(O)ccc2n1Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 17/20 0.74
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7961676 0.85 PLA2G2A (1.00) PLA2G2A
SCHEMBL2001954 0.85 PLA2G2A (0.83) PLA2G2AGAAMAPTPKMKDM4E
SCHEMBL7699338 0.84 PLA2G2A (0.73) PLA2G2AGAAMAPTPKMKDM4E
SCHEMBL7696968 0.82 PLA2G2A (0.74) PLA2G2A
SCHEMBL290764 0.80 PLA2G2A (0.67) PLA2G2AGAAMAPTPKMKDM4E
SCHEMBL2007975 0.79 PLA2G2A (0.73) PLA2G2AGAAMAPTPKMKDM4E
SCHEMBL2002826 0.78 PLA2G2A (0.72) PLA2G2AGAAMAPTPKMKDM4E
SCHEMBL9734021 0.77 PLA2G2A (0.70) PLA2G2AGAAMAPTPKMKDM4E
SCHEMBL14880137 0.77 MAPT (0.74) PLA2G2AGAAMAPTPKMKDM4E
SCHEMBL7961576 0.76 PLA2G2A (0.82) PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020478-A1 N-BENZYLINDOLE-3-ACETIC ACID DERIVATIVES FOR USE IN THE TREATMENT OF DRUG RESISTAN CANCER DUBLIN CITY UNIVERSITY (IE) 2002-03-14 WO disclosed