SCHEMBL12818276

SCHEMBL12818276

N#Cc1ccc(-c2ccc3c(c2)N(S(=O)(=O)c2ccc4[nH]c(=O)[nH]c4c2)CCS3(=O)=O)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ PGR P06401 4/20 0.35
▸ CPT2 P23786 2/20 0.33
▸ CPT1A P50416 2/20 0.33
▸ CPT1B Q92523 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ CACNG8 Q8WXS5 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ METAP2 P50579 1/20 0.30
▸ BLM P54132 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
SCHEMBL12818274 0.90 GAA (0.39) GAAATMPOLBPGRKDM4E
SCHEMBL12817730 0.85 GAA (0.42) GAAATMPOLBCPT2CPT1A
SCHEMBL1818355 0.83 CPT2 (0.41) PGRCPT2CPT1ACPT1B
SCHEMBL12817812 0.83 CYP11B1 (0.39) PGRCPT2CPT1ACPT1BMEN1
SCHEMBL12818087 0.82 CYP11B1 (0.35) PGRCPT2CPT1ACPT1BKMT2A
SCHEMBL12818298 0.82 CYP11B1 (0.35) PGRCPT2CPT1ACPT1B
SCHEMBL12817972 0.82 GAA (0.40) GAAATMPOLBPGRCPT2
SCHEMBL12818846 0.81 PKM (0.42) GAAATMPOLBPGRKDM4E
SCHEMBL12818332 0.81 GAA (0.39) GAAATMPOLBPGRKDM4E
SCHEMBL12818417 0.80 PGR (0.34) PGRCPT2CPT1ACPT1B

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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