SCHEMBL17864164

SCHEMBL17864164

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5ccc6c7ccccc7ccc6c5c43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
HPRT1 P00492 1/20 0.37
CYP1A2 P05177 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 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
SCHEMBL17864169 0.92 MAPT (0.42) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL16303015 0.92 MAPT (0.42) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL17206519 0.90 L3MBTL1 (0.38) LMNAL3MBTL1ATMKDM4ETDP1
SCHEMBL17864183 0.89 RAC2 (0.34) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL24154009 0.88 MAPT (0.40) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL17864161 0.87 MAPT (0.36) MAPTSMN1; SMN2HPRT1CYP1A2ALDH1A1
SCHEMBL17071127 0.87 MAPT (0.35) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL17864182 0.87 KDM4E (0.36) MAPTSMN1; SMN2LMNANPC1RECQL
SCHEMBL13087025 0.86 L3MBTL1 (0.38) LMNAL3MBTL1ATMKDM4ETDP1
SCHEMBL15073909 0.85 L3MBTL1 (0.45) MAPTLMNANPC1RAB9AALDH1A1

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