SCHEMBL12818635

SCHEMBL12818635

N#Cc1ccc(-c2ccc3c(c2)N(S(=O)(=O)c2ccc4[nH]c(=O)[nH]c4c2)CCO3)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ POLB P06746 1/20 0.37
▸ PDE3B Q13370 4/20 0.36
▸ PDE3A Q14432 4/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PKLR P30613 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CPT2 P23786 1/20 0.33

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
SCHEMBL12818499 0.83 PKM (0.42) PKMTDP1GAAATMMEN1
SCHEMBL12818233 0.82 PDE3B (0.42) PKMTDP1GAAATMMEN1
SCHEMBL12817789 0.82 PKM (0.42) PKMTDP1GAAATMMEN1
SCHEMBL12818846 0.82 PKM (0.42) PKMTDP1GAAATMMEN1
SCHEMBL12818616 0.80 PKM (0.40) PKMTDP1GAAATMMEN1
SCHEMBL12818687 0.80 PKM (0.40) PKMTDP1GAAATMMEN1
SCHEMBL12818991 0.80 PKM (0.43) PKMTDP1GAAATMMEN1
SCHEMBL12818601 0.79 PDE3B (0.49) PKMTDP1GAAATMMEN1
SCHEMBL12818685 0.79 PKM (0.38) PKMMEN1KMT2APDE3BPDE3A
SCHEMBL12817592 0.79 PKM (0.44) PKMTDP1GAAATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO claimed
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO disclosed
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