SCHEMBL12818152

SCHEMBL12818152

N#Cc1ccc(-c2ccc3c(c2)N(S(=O)(=O)c2cc4ccccc4s2)CCO3)o1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PDE3B Q13370 4/20 0.35
▸ PDE3A Q14432 4/20 0.35
▸ SCD5 Q86SK9 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTR6 P50406 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
SCHEMBL12818203 0.83 PDE3B (0.37) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL12818855 0.83 PGR (0.36) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1819901 0.83 KMT2A (0.43) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL12817586 0.82 PDE3B (0.40) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL12818236 0.82 PDE3B (0.35) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1820300 0.81 MEN1 (0.42) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL12817588 0.81 PDE3B (0.35) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL12818435 0.80 KMT2A (0.41) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL12818659 0.79 PIK3CD (0.42) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1819765 0.78 MEN1 (0.43) MEN1KMT2AMAPTTP53PDE3B

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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