SCHEMBL4977002

SCHEMBL4977002

Nc1cc(C(=O)Nc2ccc(C(F)(F)F)cn2)ccc1Sc1ccc(NC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.56
DEGS1 O15121 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTGES O14684 1/20 0.46
KIT P10721 2/20 0.44
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
GAA P10253 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KDR P35968 3/20 0.41
BRAF P15056 1/20 0.41
CDK8 P49336 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1455260 0.85 PTGS1 (0.48) PTGS1DEGS1TRPV1NPC1RAB9A
SCHEMBL4975269 0.77 GCK (0.47) NPC1RAB9AKCNQ3KCNQ2KDM4E
SCHEMBL1455151 0.74 MAPT (0.45) NPC1RAB9AKCNQ3KCNQ2KDM4E
SCHEMBL1453591 0.74 KCNQ3 (0.47) KCNQ3KCNQ2KDM4EALDH1A1LMNA
SCHEMBL1455071 0.74 PTGS1 (0.53) PTGS1DEGS1TRPV1NPC1RAB9A
SCHEMBL1453998 0.74 NPC1 (0.54) DEGS1NPC1RAB9AKDM4EALDH1A1
SCHEMBL1454853 0.72 MAPT (0.45) PTGS1DEGS1PTGESHIF1AEPAS1
SCHEMBL1455664 0.72 NPC1 (0.43) NPC1RAB9AKCNQ3KCNQ2KDM4E
SCHEMBL4973595 0.72 RAB9A (0.50) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL4975567 0.72 MAPT (0.47) NPC1RAB9AKCNQ3KCNQ2KDM4E

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-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed