SCHEMBL18645889

SCHEMBL18645889

Bc1ccc2sc3ccccc3c2c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GPR3 P46089 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL31677913 0.83 LMNA (0.43) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL17952462 0.81 MAPT (0.42) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL18614005 0.78 MAPT (0.42) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL27749596 0.75 CYP3A4 (0.42) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL18645885 0.75 LMNA (0.40) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL31478092 0.73 TDP1 (0.53) MAPTLMNAKMT2APOLBMEN1
SCHEMBL3293386 0.73 TDP1 (0.53) MAPTLMNAKMT2APOLBMEN1
SCHEMBL3466137 0.72 KMT2A (0.44) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL16919342 0.72 CTSB (0.40) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL5120287 0.72 TDP1 (0.46) MAPTKMT2AHPGDPOLBMEN1

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-2017043835-A1 ORGANIC ELECTRONIC DIODE COMPOUND, ORGANIC ELECTRONIC DIODE USING SAME, AND DEVICE THEREFOR 덕산네오룩스 주식회사 2017-03-16 — — WO disclosed
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