SCHEMBL9715583

SCHEMBL9715583

O=C(OC(=O)c1cnc2ccccc2c1)c1cnc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.69
CFTR P13569 1/20 0.54
CHRNB2 P17787 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
TOP2A P11388 2/20 0.50
TOP2B Q02880 2/20 0.50
BCAT1 P54687 1/20 0.50
KDR P35968 1/20 0.50
MAP4K4 O95819 1/20 0.48
CSNK1G2 P78368 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
RAB9A P51151 3/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL27664628 0.93 MGAM (0.65) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL10638712 0.90 MGAM (0.61) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL27684267 0.89 MGAM (0.59) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL29281919 0.88 MGAM (0.67) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL28022054 0.87 MGAM (0.61) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL28862046 0.86 MGAM (0.65) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL2031896 0.86 ALOX15 (0.65) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL29505143 0.86 ALOX15 (0.65) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL27790824 0.86 MGAM (0.65) MGAMCFTRCHRNB2CHRNA7CHRNA4
SCHEMBL27611258 0.86 MGAM (0.65) MGAMCFTRCHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1031710-C Process for preparing quinoline carboxylic acid boric acid anhydride CHINOIN GYOGYSZER ES VEGYESZET (HU) 1996-05-01 CN disclosed
EP-0310647-B1 QUINOLINE CARBOXYLIC ACID BORIC ACID ANHYDRIDES AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-12-09 EP disclosed
US-4940794-A INTERMEDIATES FOR PREPARING ANTIBACTERIAL QUINOLINE-3-CARBOXYLIC ACIDS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA/RT. (HU) 1990-07-10 US disclosed
EP-0310647-A1 QUINOLINE CARBOXYLIC ACID BORIC ACID ANHYDRIDES AND PROCESS FOR THE PREPARATION THEREOF. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1989-04-12 EP disclosed
CN-88101941-A Process for preparing quinoline carboxylic acid boric anhydride 1988-10-26 CN disclosed
WO-1988007998-A1 QUINOLINE CARBOXYLIC ACID BORIC ACID ANHYDRIDES AND PROCESS FOR THE PREPARATION THEREOF Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-10-20 WO disclosed