SCHEMBL8306654

SCHEMBL8306654

COC(=O)C(=O)C1=Cc2ccccc2NC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
IDO1 P14902 1/20 0.33
HSD17B3 P37058 1/20 0.33
BRPF1 P55201 1/20 0.31
P2RX4 Q99571 1/20 0.31
MAOB P27338 1/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
BRD4 O60885 1/20 0.30
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL26128039 0.84 CA12 (0.48) CA12CA9IDO1HSD17B10KDM4E
SCHEMBL30366037 0.79 HSD17B3 (0.40) SMN1; SMN2MAPTCA12CA9HSD17B3
SCHEMBL28390255 0.79 HSD17B3 (0.40) SMN1; SMN2MAPTCA12CA9HSD17B3
SCHEMBL980578 0.77 MAOA (0.35) RAB9AMAPTHSD17B3BRPF1MAOB
SCHEMBL29816130 0.77 MAOA (0.35) RAB9AMAPTHSD17B3BRPF1MAOB
SCHEMBL27868242 0.76 TSHR (0.46) MAPTCA12CA9IDO1HSD17B10
SCHEMBL715561 0.76 HSD17B10 (0.33) MAPTHSD17B3BRPF1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL27489771 0.76 BLM (0.34) MAPTHSD17B3BRPF1MAOBHSD17B10
SCHEMBL27719045 0.76 HSD17B3 (0.33) RAB9ASMN1; SMN2MAPTNPC1NFKB1
Hydrochloric Acid SCHEMBL3719374 0.76 BLM (0.34) MAPTHSD17B3BRPF1MAOBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633261-B1 QUINOLINE-3-ACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF YOSHITOMI PHARMACEUTICAL (JP) 1999-04-21 EP disclosed
US-5543420-A ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AGENTS; PREVENTION OF ACCUMULATION OF SORBITOL AND GALACTITOL IN MAMMALIAN TISSUE THE GREEN CROSS CORPORATION (JP) 1996-08-06 US disclosed
EP-0633261-A1 QUINOLINE-3-ACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF THE GREEN CROSS CORPORATION (JP) 1995-01-11 EP disclosed