SCHEMBL6204972

SCHEMBL6204972

CCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 1.00
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
MAPT P10636 4/20 0.74
TP53 P04637 1/20 0.74
KDM4E B2RXH2 4/20 0.67
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ADORA2A P29274 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL6204810 0.94 POLB (0.88) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205198 0.93 POLB (0.87) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205973 0.92 POLB (0.85) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205369 0.92 POLB (0.84) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205594 0.91 POLB (0.82) POLBMEN1KMT2AMAPTTP53
SCHEMBL6228627 0.91 POLB (0.83) POLBMEN1KMT2AMAPTTP53
SCHEMBL6227484 0.90 POLB (0.81) POLBMEN1KMT2AMAPTTP53
Hydrochloric Acid SCHEMBL6205263 0.90 POLB (0.81) POLBMEN1KMT2AMAPTTP53
SCHEMBL6227105 0.90 POLB (0.81) POLBMEN1KMT2AMAPTTP53
SCHEMBL6204181 0.89 POLB (0.80) POLBMEN1KMT2AMAPTTP53

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
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed