SCHEMBL13537353

SCHEMBL13537353

CN1CCN(C(=O)Cn2ccc3ccc(N=O)cc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.40
▸ HTR7 P34969 9/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ GRIN2B Q13224 2/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL3353889 0.82 HRH4 (0.49) PTGS2HTR7KMT2AUSP2ALDH1A1
SCHEMBL12605568 0.79 KMT2A (0.56) PTGS2KMT2AALDH1A1HSD17B10MAPT
SCHEMBL3356853 0.79 HTR7 (0.62) HTR7KMT2AALDH1A1MEN1HPGD
SCHEMBL13537316 0.76 HTR7 (0.41) HTR7
SCHEMBL13537609 0.76 KDM4E (0.46) KMT2AUSP2ALDH1A1HPGDTSHR
SCHEMBL13537401 0.76 GRIN2B (0.43) GRIN2B
SCHEMBL13537343 0.72 HTR7 (0.38) HTR7
SCHEMBL29930457 0.70 GRIN2B (0.60) GRIN2B
SCHEMBL11988944 0.69 NOS3 (0.53) HTR7
SCHEMBL20604929 0.68 ROCK1 (0.41) PTGS2HTR7KMT2AMAPTKDM4E

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
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