SCHEMBL17864104

SCHEMBL17864104

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5cc6c(ccc7c8ccccc8ccc67)cc54)nc4ccccc34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 3/20 0.38
KMT2A Q03164 4/20 0.34
HTR6 P50406 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NUDT1 P36639 2/20 0.33
ADORA2A P29274 1/20 0.33
HIF1A Q16665 2/20 0.33
CYP1B1 Q16678 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.31
S1PR2 O95136 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
SCHEMBL17864126 0.94 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864124 0.94 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864063 0.90 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864160 0.87 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21213859 0.87 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864128 0.86 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL13877324 0.86 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864101 0.85 TUBB4A (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864108 0.85 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21213399 0.85 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1

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