SCHEMBL17864128

SCHEMBL17864128

c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6cc7c(ccc8c9ccccc9ccc78)cc65)nc5ccccc45)cc3)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FLT3 P36888 3/20 0.34
BMX P51813 2/20 0.34
KMT2A Q03164 2/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32

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
SCHEMBL17864058 0.96 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864101 0.91 TUBB4A (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864126 0.91 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864124 0.91 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21213088 0.90 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16066277 0.89 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19271520 0.88 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864184 0.87 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17864063 0.87 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21168838 0.87 KDM4E (0.38) 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