SCHEMBL21938642

SCHEMBL21938642

Cc1c([N+](=O)[O-])c([N+](=O)[O-])c(C2CCCC2)c2nsnc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GABBR2 O75899 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GABBR1 Q9UBS5 1/20 0.31
▸ PSD A5PKW4 1/20 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
SCHEMBL21938440 0.91 MAPT (0.36) MAPTMEN1KMT2AGABBR2CYP1A2
SCHEMBL14123560 0.80 MAPT (0.46) MAPTMEN1KMT2ATDP1
SCHEMBL15624647 0.73 MAPT (0.44) MAPTMEN1KMT2ATDP1
SCHEMBL17660029 0.64 MAPT (0.42) MAPT
SCHEMBL18217202 0.63 MAPT (0.41) MAPTMEN1KMT2ACYP1A2TDP1
SCHEMBL15957606 0.60 TDP1 (0.50) MEN1KMT2ACYP1A2TDP1
SCHEMBL3619569 0.59 MAPT (0.44) MAPTMEN1KMT2ATDP1
SCHEMBL29435875 0.58 MAPT (0.43) MAPTMEN1KMT2ATDP1
SCHEMBL2418995 0.58 MAPT (0.42) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL13199105 0.58 TDP1 (0.48) MEN1KMT2ACYP1A2TDP1

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-2020052194-A1 FUSED RING BENZOTHIADIAZOLE-BASED NON-FULLERENE ACCEPTOR MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 中南大学 2020-03-19 — — WO disclosed
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