SCHEMBL7699338

SCHEMBL7699338

Cc1c(CN)c2cc(O)ccc2n1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 15/20 0.73
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
PKM P14618 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PLA2G1B P04054 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL9734021 0.90 PLA2G2A (0.70) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL7952628 0.85 PLA2G2A (1.00) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL7700846 0.84 PLA2G2A (0.74) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL5437216 0.84 PLA2G2A (0.82) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL8292911 0.82 PLA2G2A (0.78) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL7694484 0.82 PLA2G2A (0.73) PLA2G2AMAPTPKMALDH1A1KDM4E
SCHEMBL7961660 0.80 PLA2G2A (0.75) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL5605448 0.79 PLA2G2A (0.73) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL290852 0.78 GAA (0.79) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL3854952 0.78 PLA2G2A (0.60) PLA2G2AGAAMAPTPKMALDH1A1

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