SCHEMBL973267

SCHEMBL973267

Brc1ccc(-c2ccc(-c3cn4ccccc4n3)cc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.97
NPC1 O15118 13/20 0.97
KDM4E B2RXH2 8/20 0.97
POLB P06746 1/20 0.97
GFER P55789 3/20 0.67
PKM P14618 4/20 0.63
EPHX2 P34913 1/20 0.63
HDAC6 Q9UBN7 1/20 0.60
APP P05067 2/20 0.59
PAX8 Q06710 1/20 0.59
ALDH1A1 P00352 7/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 1/20 0.59
MIF P14174 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.58
MAPK1 P28482 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58

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
SCHEMBL972536 0.98 RAB9A (1.00) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL13325938 0.91 RAB9A (0.80) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL13325909 0.89 RAB9A (0.83) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL29396057 0.89 RAB9A (0.77) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL13325735 0.88 RAB9A (0.75) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL31154574 0.84 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL29080554 0.84 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL966793 0.84 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL13325896 0.83 ALDH1A3 (0.71) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL25790029 0.83 RAB9A (0.97) RAB9ANPC1KDM4EPOLBGFER

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
CN-116075509-A Novel compound for capping layer and organic light-emitting element comprising same 东进世美肯株式会社 2023-05-05 CN disclosed
CN-115720456-A Organic light emitting element comprising a capping layer 东进世美肯株式会社 2023-02-28 CN disclosed
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 US disclosed