SCHEMBL5176875

SCHEMBL5176875

NC(=O)Cc1cccc(-c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
KMO O15229 1/20 0.54
MKNK1 Q9BUB5 10/20 0.52
MKNK2 Q9HBH9 10/20 0.52
MEN1 O00255 1/20 0.51
PSIP1 O75475 1/20 0.51
AXL P30530 1/20 0.51
CYP2A6 P11509 2/20 0.50
BACE1 P56817 1/20 0.49
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
NAPRT Q6XQN6 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
PSMB5 P28074 1/20 0.46

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
SCHEMBL3941960 0.86 NAPRT (0.67) EPHX2PRMT6KMOMKNK1MKNK2
SCHEMBL5178108 0.86 AKT1 (0.43) BACE1PSMB5
SCHEMBL13492969 0.84 MKNK1 (0.63) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL934607 0.84 EPHX2 (0.51) EPHX2PRMT6KMOMKNK1MKNK2
SCHEMBL5218911 0.82 TBXAS1 (0.55) EPHX2PRMT6KMOMKNK1MKNK2
SCHEMBL29701327 0.81 NAPRT (0.69) NAPRTCYP1A2CYP3A4
SCHEMBL794394 0.81 NAPRT (0.69) NAPRTCYP1A2CYP3A4
SCHEMBL14192706 0.81 EPHX2 (0.51) EPHX2PRMT6KMOMKNK1MKNK2
SCHEMBL5178207 0.81 WNT3A (0.53) KMOBACE1PIM1PIM2
SCHEMBL3933089 0.81 ALDH1A1 (0.60) EPHX2PRMT6KMOMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP claimed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP claimed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2016164401-A1 TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2016-10-13 WO disclosed
WO-2016160980-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2016-10-06 WO disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 WO disclosed
EP-1789397-A2 4-ARYLSPIROCYCLOALKYL-2-AMINOPYRIMIDINE CARBOXAMIDE KCNQ POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 2007-05-30 EP disclosed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP disclosed
WO-2006033844-A2 4-ARYLSPIROCYCLOALKYL-2-AMINOPYRIMIDINE CARBOXAMIDE KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed