SCHEMBL11089699

SCHEMBL11089699

CC(=O)Nc1ccc2[nH]c(=O)n3nc(C(=O)O)nc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.55
FEN1 P39748 2/20 0.55
ERCC4 Q92889 2/20 0.55
DNASE1 P24855 1/20 0.55
ADORA3 P0DMS8 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
ESR1 P03372 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KMT2A Q03164 1/20 0.47
HAVCR2 Q8TDQ0 2/20 0.46
CHEK1 O14757 1/20 0.44
MAOA P21397 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
JAK2 O60674 1/20 0.41
PAK4 O96013 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL11172362 0.84 ERCC1 (0.52) ERCC1FEN1ERCC4DNASE1ADORA3
SCHEMBL11084519 0.83 ERCC1 (0.54) ERCC1FEN1ERCC4DNASE1ADORA3
SCHEMBL11081150 0.82 HAVCR2 (0.53) ADORA3HAVCR2HSD17B10JAK2PAK4
SCHEMBL11083967 0.81 HAVCR2 (0.48) HAVCR2HSD17B10JAK2PAK4NTRK1
SCHEMBL11088372 0.80 CA12 (0.48) ADORA3HAVCR2
SCHEMBL11083501 0.80 HAVCR2 (0.67) HAVCR2JAK2PAK4NTRK1LCK
SCHEMBL11089647 0.79 HAVCR2 (0.47) HAVCR2HSD17B10JAK2PAK4NTRK1
SCHEMBL11085566 0.79 JAK2 (0.47) KDM4EALDH1A1HAVCR2HSD17B10JAK2
SCHEMBL8861987 0.77 HAVCR2 (0.46) KDM4EALDH1A1HPGDHAVCR2HSD17B10
SCHEMBL11087925 0.76 JAK2 (0.45) HAVCR2HSD17B10JAK2PAK4NTRK1

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
US-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed