SCHEMBL4968423

SCHEMBL4968423

O=C(O)Oc1cc2ccc(Br)cn2n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AHR P35869 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4968409 0.81 MAPT (0.33) KDM4EMAPT
SCHEMBL4970795 0.81 KMT2A (0.34) RAB9AALDH1A1MAPT
SCHEMBL20602128 0.77 AHR (0.34) AHRMAPT
SCHEMBL3811214 0.76 KDM4E (0.46) NPC1RAB9AKDM4EALDH1A1AHR
SCHEMBL4968672 0.74 MAP4K4 (0.49) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL23580639 0.72 MAOB (0.42) ALDH1A1
SCHEMBL20602282 0.71 AHR (0.40) NPC1RAB9AKDM4EALDH1A1AHR
SCHEMBL20602236 0.71 AHR (0.37) NPC1RAB9AAHR
SCHEMBL4968697 0.69 MAPT (0.33) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL15447506 0.68 CA1 (0.36) NPC1RAB9AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 EP disclosed
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP disclosed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO disclosed