SCHEMBL17033586

SCHEMBL17033586

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AVPR1A P37288 1/20 0.38
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.36
OXTR P30559 1/20 0.35
KMT2A Q03164 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ABL1 P00519 1/20 0.33
MAPT P10636 1/20 0.32
OPRD1 P41143 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
SCHEMBL15073678 0.87 KDM4E (0.52) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL17033677 0.85 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL17033449 0.85 KDM4E (0.38) ALDH1A1HPGDKDM4EATML3MBTL1
SCHEMBL17033766 0.84 NPC1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4EATM
SCHEMBL17033438 0.84 L3MBTL1 (0.37) ALDH1A1HPGDKDM4EATML3MBTL1
SCHEMBL16303023 0.83 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL17033530 0.82 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL17033443 0.82 L3MBTL1 (0.39) ALDH1A1KDM4EATML3MBTL1KMT2A
SCHEMBL15802248 0.81 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL17033426 0.81 ATM (0.41) ALDH1A1HPGDMAPK1KDM4EATM

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed