SCHEMBL17864112

SCHEMBL17864112

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c7ccc8c9ccccc9ccc8c7ccc65)ccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC2 P15153 1/20 0.35
RAC3 P60763 1/20 0.35
CDC42 P60953 1/20 0.35
RAC1 P63000 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPRT1 P00492 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGES O14684 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
F2 P00734 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
SCHEMBL24677385 0.94 KDM4E (0.37) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL25490065 0.91 KDM4E (0.36) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL24677468 0.91 KDM4E (0.38) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL22203154 0.90 ATM (0.37) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL17864183 0.89 RAC2 (0.34) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL22203161 0.89 TUBB4A (0.36) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL22884172 0.89 KDM4E (0.33) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL17864125 0.89 RAC2 (0.35) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL17864067 0.89 CYP1B1 (0.36) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL22884174 0.89 RAC2 (0.33) RAC2RAC3CDC42RAC1KDM4E

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed