SCHEMBL16704599

SCHEMBL16704599

Brc1cccc(-c2cc(-c3ccccc3)c3c4cccc5ccc6cccc(c3c2-c2ccccc2)c6c54)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
CYP1A2 P05177 2/20 0.37
HSD17B10 Q99714 2/20 0.37
THRB P10828 1/20 0.37
BIRC5 O15392 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ACHE P22303 2/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
AHR P35869 1/20 0.35
NPC1 O15118 3/20 0.35
TSHR P16473 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL16704591 0.97 MAOA (0.39) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL16704581 0.91 NPC1 (0.38) MAOAMAOBALDH1A1HPGDMEN1
SCHEMBL16704583 0.90 NPC1 (0.37) MAOAMAOBALDH1A1HPGDMEN1
SCHEMBL12470668 0.90 ALDH1A1 (0.45) MAOAMAOBALDH1A1HPGDCYP1A2
SCHEMBL16704593 0.88 NPC1 (0.38) MAOAMAOBALDH1A1HPGDMEN1
SCHEMBL12686016 0.87 MAPT (0.33) MAOAMAOBALDH1A1KDM4EMEN1
SCHEMBL17536911 0.85 NPC1 (0.38) MAOAMAOBALDH1A1HPGDMEN1
SCHEMBL16704586 0.85 GABRA1 (0.38) MAOBALDH1A1MEN1KMT2AACHE
SCHEMBL16704594 0.85 GABRA1 (0.38) MAOBALDH1A1MEN1KMT2AACHE
SCHEMBL12685738 0.83 ALDH1A1 (0.37) MAOAALDH1A1HPGDCYP1A2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673249-B1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2019-04-03 EP disclosed
US-9029425-B2 Substituted dibenzo[FG,OP]tetracenes and formulations or electronic devices containing the same MERCK PATENT GMBH (DE) 2015-05-12 US disclosed
US-9029425-B2 Substituted dibenzo[FG,OP]tetracenes and formulations or electronic devices containing the same MERCK PATENT GMBH (DE) 2015-05-12 US disclosed