SCHEMBL16592452

SCHEMBL16592452

COc1cc(C=Cc2ccccn2)ccc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.74
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
GLA P06280 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 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
SCHEMBL16592450 1.00 APP (0.74) APPNPC1RAB9AKDM4EGAA
SCHEMBL8854378 0.86 CYP1A1 (0.65) APPNPC1RAB9AGAAMAPT
SCHEMBL22010235 0.86 CYP1A1 (0.65) APPNPC1RAB9AGAAMAPT
SCHEMBL8854590 0.82 APP (0.74) APPNPC1RAB9AGAAMAPT
SCHEMBL5720643 0.82 APP (0.85) APPCYP1A1CYP1A2CYP1B1TUBB4A
SCHEMBL5720639 0.82 APP (0.85) APPCYP1A1CYP1A2CYP1B1TUBB4A
SCHEMBL9189630 0.80 TUBB4A (0.65) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL9189623 0.80 TUBB4A (0.65) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL21005800 0.80 TUBB4A (0.65) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL30842581 0.80 APP (0.48) APPNPC1RAB9AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2853565-A1 Glutamate receptor photomodulators Consejo Superior De Investigaciones Científicas (ES) 2015-04-01 EP disclosed