SCHEMBL16613422

SCHEMBL16613422

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4cscc34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL16613360 0.91 ALDH1A1 (0.39) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL16613542 0.89 ALDH1A1 (0.38) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL16613345 0.89 KDM4E (0.37) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL16613481 0.87 KDM4E (0.34) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL16613482 0.87 ALDH1A1 (0.34) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL16613304 0.84 MAPT (0.33) MAPTLMNANPC1RECQLRAB9A
SCHEMBL13086877 0.84 MAPT (0.40) MAPTLMNANPC1RECQLRAB9A
SCHEMBL16613361 0.84 ALDH1A1 (0.32) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL16613455 0.82 NQO2 (0.31) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL16613362 0.82 TUBB4A (0.32) MAPTLMNANPC1RAB9ASMN1; SMN2

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed