SCHEMBL9804033

SCHEMBL9804033

CCOc1ccc2nc(C(=Cc3ccccc3)N(CC)CC)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
KDM4E B2RXH2 6/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
RELA Q04206 2/20 0.42
SCN9A Q15858 6/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9193182 0.90 RAB9A (0.45) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL2494588 0.81 MEN1 (0.51) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL29923914 0.73 KDM4E (0.55) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL9803850 0.69 NPC1 (0.49) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL28180362 0.68 MAPT (0.55) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL9945361 0.68 AKR1C3 (0.51) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL8822056 0.68 ALDH1A1 (0.43) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL8520463 0.67 KDM4E (0.49) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL1348645 0.67 LMNA (0.55) RAB9AKDM4ENPC1MAPTMEN1
SCHEMBL11206642 0.66 NPC1 (0.49) RAB9ANPC1MAPTMEN1KMT2A

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
US-4987056-A IMPROVED SENSITIVITY TO VISIBLE LIGHT TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-01-22 US disclosed