SCHEMBL6928197

SCHEMBL6928197

O=c1oc2c[c]ccc2cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.73
NPC1 O15118 7/20 0.73
TP53 P04637 8/20 0.59
MAPT P10636 7/20 0.59
USP2 O75604 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CASP1 P29466 4/20 0.59
BRCA1 P38398 4/20 0.59
CASP7 P55210 4/20 0.59
ATM Q13315 3/20 0.59
LMNA P02545 3/20 0.59
HBB P68871 3/20 0.59
POLB P06746 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HTT P42858 1/20 0.59
PTK2B Q14289 1/20 0.59
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57

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
SCHEMBL4583148 0.84 RAB9A (1.00) RAB9ANPC1TP53MAPTUSP2
SCHEMBL12814273 0.79 RAB9A (0.74) RAB9ANPC1TP53MAPTUSP2
SCHEMBL20917437 0.79 RAB9A (0.74) RAB9ANPC1TP53MAPTUSP2
SCHEMBL6329610 0.79 RAB9A (0.74) RAB9ANPC1TP53MAPTUSP2
Coumarin SCHEMBL28710843 0.78 RAB9A (0.85) RAB9ANPC1TP53MAPTUSP2
SCHEMBL3769728 0.77 NPC1 (0.48) RAB9ANPC1TP53MAPTUSP2
SCHEMBL24270308 0.77 RAB9A (0.74) RAB9ANPC1TP53MAPTUSP2
SCHEMBL8787220 0.77 NPC1 (0.74) RAB9ANPC1TP53MAPTUSP2
SCHEMBL12388192 0.77 NPC1 (0.74) RAB9ANPC1TP53MAPTUSP2
SCHEMBL12388196 0.77 TP53 (0.81) RAB9ANPC1TP53MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204671-B1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M INNOVATIVE PROPERTIES CO (US) 2003-12-03 EP disclosed
US-6566508-B2 Compound for use in the accurate detection of food parasites 3M INNOVATIVE PROPERTIES COMPANY 2003-05-20 US disclosed
EP-1204671-A1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M Innovative Properties Company (US) 2002-05-15 EP disclosed
US-6372895-B1 USEFUL IN ASSAYING FOR BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY 2002-04-16 US disclosed
WO-2001010881-A1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-02-15 WO disclosed