SCHEMBL708666

SCHEMBL708666

CCCCc1ccc(-c2c3nc(c(-c4ccc(Br)cc4)c4ccc([nH]4)c(-c4ccc(CCCC)cc4)c4nc(c(-c5ccc(Br)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TOP1 P11387 4/20 0.45
CYCS P99999 3/20 0.44
ENPP2 Q13822 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL706881 0.99 TERT (0.47) TERTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7164187 0.93 TERT (0.54) TERTNPC1RAB9ASMN1; SMN2TOP1
SCHEMBL3474355 0.88 TERT (0.51) TERTRAB9ASMN1; SMN2TOP1CYCS
SCHEMBL10717959 0.88 TERT (0.51) TERTRAB9ASMN1; SMN2TOP1CYCS
SCHEMBL7738094 0.88 TERT (0.51) TERTRAB9ASMN1; SMN2TOP1CYCS
SCHEMBL3041824 0.83 TOP1 (0.60) TERTTOP1CYCSENPP2ABCG2
SCHEMBL17904261 0.83 TERT (0.44) TERTTOP1CYCSENPP2ABCG2
SCHEMBL17904263 0.83 TERT (0.44) TERTNPC1RAB9ASMN1; SMN2TOP1
SCHEMBL17904267 0.82 CYCS (0.44) TERTTOP1CYCSENPP2
SCHEMBL28672107 0.81 TOP1 (0.58) TERTTOP1CYCSENPP2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124443-B2 Organic diodes and materials MARROCCO MATTHEW L (US) 2012-02-28 US disclosed
US-20100112751-A1 ORGANIC DIODES AND MATERIALS MARROCCO III MATTHEW L 2010-05-06 US disclosed
US-7655961-B2 Organic diodes and materials MAXDEM INCORPORATED (US) 2010-02-02 US disclosed
WO-2005034199-A2 ORGANIC DIODES AND MATERIALS MAXDEM INCORPORATED (US) 2005-04-14 WO disclosed
US-20050072971-A1 Organic diodes and materials IPCO LLC 2005-04-07 US disclosed