SCHEMBL27945216

SCHEMBL27945216

C#Cc1n[nH]c2ccc(CC(=O)O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ HPGD P15428 4/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PPARG P37231 5/20 0.40
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL28000410 0.79 ALDH1A1 (0.60) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL17871939 0.78 KDM4E (0.58) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL27926206 0.76 LMNA (0.38) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL25229706 0.75 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL20421204 0.74 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL28000229 0.74 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL20421209 0.73 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1MAPT
Tert-Butyl Formate SCHEMBL27926207 0.72 MAP2K4 (0.38) TDP1NTRK1GABRA1GABRG2GABRB3
SCHEMBL18691011 0.71 ALDH1A1 (0.51) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL17871778 0.71 ALDH1A1 (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPT

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
CN-103429585-B Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2015-07-08 — — CN disclosed
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 — — CN disclosed
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