SCHEMBL7699729

SCHEMBL7699729

CCc1c(CC#N)c2cc(OC)ccc2n1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 0.67
PLA2G1B P04054 1/20 0.54
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7696968 0.85 PLA2G2A (0.74) PLA2G2APLA2G1B
SCHEMBL7952979 0.80 PLA2G2A (1.00) PLA2G2A
SCHEMBL7965041 0.80 PLA2G2A (0.80) PLA2G2APLA2G1B
SCHEMBL8235994 0.80 PLA2G2A (0.67) PLA2G2APLA2G1BTSHRMAPK1KMT2A
SCHEMBL7953087 0.78 PLA2G2A (1.00) PLA2G2A
SCHEMBL9551975 0.75 HTR6 (0.55) PLA2G2APLA2G1BTSHRMAPK1KMT2A
SCHEMBL14400654 0.75 PLA2G2A (0.58) PLA2G2APLA2G1BTSHRMAPK1KMT2A
SCHEMBL10050594 0.75 PLA2G2A (0.58) PLA2G2APLA2G1BTSHRMAPK1KMT2A
SCHEMBL7694912 0.75 PLA2G2A (0.77) PLA2G2APLA2G1B
SCHEMBL344897 0.75 PLA2G2A (0.84) PLA2G2APLA2G1B

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