SCHEMBL16613642

SCHEMBL16613642

c1ccc(-n2ccc3nc(-n4c5ccccc5c5ccccc54)nc(-c4ccccn4)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
PPP1CA P62136 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RPS6KA5 O75582 1/20 0.34
METAP1 P53582 5/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL16613640 0.90 MCL1 (0.39) MCL1L3MBTL1MAPTPPP1CAKDM4E
SCHEMBL16613733 0.84 KDM4E (0.40) L3MBTL1MAPTKDM4ETDP1ATM
SCHEMBL16613366 0.82 MCL1 (0.38) MCL1L3MBTL1MAPTPPP1CAKDM4E
SCHEMBL16613593 0.82 KDM4E (0.39) L3MBTL1MAPTKDM4ETDP1ATM
SCHEMBL12014847 0.81 MCL1 (0.47) MCL1L3MBTL1MAPTPPP1CAKDM4E
SCHEMBL16613736 0.80 KDM4E (0.40) L3MBTL1KDM4EATM
SCHEMBL16613734 0.80 KDM4E (0.36) L3MBTL1MAPTKDM4ERAB9ATDP1
SCHEMBL16613604 0.80 KDM4E (0.36) L3MBTL1MAPTKDM4EATMKMT2A
SCHEMBL16613603 0.80 KDM4E (0.36) L3MBTL1MAPTKDM4EATMKMT2A
SCHEMBL16613594 0.79 KDM4E (0.36) L3MBTL1MAPTKDM4ERAB9AATM

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
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed