SCHEMBL12818332

SCHEMBL12818332

N#Cc1ccc(-c2ccc3c(c2)N(S(=O)(=O)c2ccc4[nH]c(=O)[nH]c4c2)CC[S+]3[O-])s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ PGR P06401 4/20 0.34
▸ 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
SCHEMBL12818247 0.85 GAA (0.42) GAAATMPOLBKDM4EMEN1
SCHEMBL12818423 0.83 CYP11B1 (0.39) PGRMEN1KMT2AHTR7
SCHEMBL12818566 0.82 CYP11B1 (0.35) PGRKMT2A
SCHEMBL12818905 0.82 CYP11B1 (0.35) PGRKMT2A
SCHEMBL12817972 0.82 GAA (0.40) GAAATMPOLBPGRKDM4E
SCHEMBL12818846 0.81 PKM (0.42) GAAATMPOLBPGRKDM4E
SCHEMBL12817879 0.81 CNR1 (0.33) PGR
SCHEMBL12818276 0.81 GAA (0.39) GAAATMPOLBPGRKDM4E
SCHEMBL12818274 0.80 GAA (0.39) GAAATMPOLBPGRKDM4E
SCHEMBL12818669 0.79 PKM (0.37) POLBPGR

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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