SCHEMBL9945517

SCHEMBL9945517

CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccc(C)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(CCCC)cc7)nc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(Br)ccc7-8)n6)cc5)cc4)n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NFKB1 P19838 4/20 0.39
NFKB2 Q00653 4/20 0.39
RELA Q04206 4/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RARB P10826 7/20 0.36
ATM Q13315 1/20 0.35
EIF4A1 P60842 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9897097 0.96 RAB9A (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9898371 0.94 RAB9A (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11976588 0.88 RARB (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL19333589 0.85 PDK2 (0.36) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9898607 0.84 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9945502 0.82 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11976613 0.82 RARB (0.35) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL15854816 0.82 RARB (0.37) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL14289888 0.81 PDK2 (0.37) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11976555 0.81 CNR1 (0.36) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9196835-B2 Polymer, method of manufacture thereof, and organic light-emitting device including the polymer SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-24 US disclosed
US-20120146005-A1 POLYMER, METHOD OF MANUFACTURE THEREOF, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE POLYMER SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-06-14 US disclosed