SCHEMBL21596941

SCHEMBL21596941

Nc1onc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
SLC6A2 P23975 1/20 0.48
SCN4A P35499 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL21596926 0.78 MEN1 (0.48) NPC1RAB9ALMNATP53CYP1A2
SCHEMBL29652544 0.74 EPHX2 (0.46) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL21596922 0.74 KMT2A (0.50) NPC1RAB9ALMNATP53CYP1A2
SCHEMBL21609212 0.74 EPHX2 (0.46) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL4271192 0.71 NR4A2 (0.51) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL30513837 0.71 MAP4K4 (0.54) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL439264 0.69 HSD17B10 (0.64) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL2145154 0.68 MEN1 (0.47) RAB9AKDM4EPIM1DYRK1A
SCHEMBL21596925 0.68 DYRK1A (0.44) NPC1RAB9ALMNASMN1; SMN2IP6K1
SCHEMBL440348 0.68 NPC1 (0.44) NPC1RAB9AGMNNUSP2LMNA

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-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed