SCHEMBL17033677

SCHEMBL17033677

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4ccc5cc6c7ccccc7c7ccccc7n6c5c43)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AVPR1A P37288 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
POLB P06746 1/20 0.34
OXTR P30559 1/20 0.34
MAPK10 P53779 2/20 0.33
MAPK9 P45984 1/20 0.33
KMT2A Q03164 3/20 0.33
ABL1 P00519 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
SCHEMBL17033656 0.87 ATM (0.37) ALDH1A1HPGDKDM4EATML3MBTL1
SCHEMBL17033625 0.86 ATM (0.36) ALDH1A1HPGDKDM4EATML3MBTL1
SCHEMBL17033586 0.85 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL16303023 0.84 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL17033595 0.83 KDM4E (0.37) KDM4EATML3MBTL1TSHRHSD17B10
SCHEMBL17033645 0.82 KDM4E (0.33) KDM4EATML3MBTL1KMT2A
SCHEMBL15073678 0.82 KDM4E (0.52) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL17033640 0.81 KDM4E (0.33) ALDH1A1HPGDKDM4EATML3MBTL1
SCHEMBL17033622 0.81 ATM (0.39) ALDH1A1MAPK1KDM4EATML3MBTL1
SCHEMBL15073738 0.81 KDM4E (0.45) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1

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