SCHEMBL7861633

SCHEMBL7861633

Cc1ccc2[nH]c(=O)c(C(=O)O)c(O)c2c1C=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ERN1 O75460 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PADI4 Q9UM07 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PARP1 P09874 1/20 0.31
DAO P14920 1/20 0.31
DDO Q99489 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL7861387 0.84 KDM5A (0.50) KDM4ETDP1MAPTKDM5AKDM5B
SCHEMBL7862448 0.82 KMT2A (0.38) KDM4ETDP1ERN1MAPTPADI4
SCHEMBL7860205 0.80 MEN1 (0.42) KDM4EMAPTNPC1RAB9AKDM5A
SCHEMBL1033282 0.79 GRIN2D (0.43) KDM4ETDP1GRIK1GRIA1GRIA2
SCHEMBL7865102 0.78 MEN1 (0.38) KDM4ETDP1CYP3A4MAPTRAB9A
SCHEMBL7861641 0.78 TSHR (0.38) KDM4ECYP3A4MAPTPADI4NPC1
SCHEMBL2483507 0.77 KDM4E (0.50) KDM4ETDP1CYP3A4NPC1RAB9A
SCHEMBL7826753 0.77 KDM4E (0.38) KDM4ETDP1GRIK1GRIA1GRIA2
SCHEMBL7593043 0.76 HDAC4 (0.42) ERN1MAPTKDM5A
SCHEMBL7556667 0.75 HSD17B1 (0.34) KDM4EMAPTPADI4PARP1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097139-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-05-09 EP disclosed
WO-2000003992-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2000-01-27 WO disclosed