SCHEMBL20041225

SCHEMBL20041225

O=CNc1ccc(C(=O)N2CCCC(NC(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 4/20 0.54
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ DPP4 P27487 5/20 0.48
▸ DPP7 Q9UHL4 5/20 0.48
▸ KCNH2 Q12809 3/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ F13A1 P00488 3/20 0.47
▸ TGM1 P22735 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ HPN P05981 2/20 0.44
▸ ST14 Q9Y5Y6 2/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ ATXN2 Q99700 1/20 0.44

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
SCHEMBL3316730 0.86 CTSL (0.53) TGM2CTSLCTSBCTSKDPP4
SCHEMBL3316725 0.86 CTSL (0.53) TGM2CTSLCTSBCTSKDPP4
SCHEMBL3313305 0.86 HPN (0.56) TGM2CTSLCTSBCTSKDPP4
SCHEMBL3313307 0.86 HPN (0.56) TGM2CTSLCTSBCTSKDPP4
SCHEMBL16664895 0.83 TGM2 (0.55) TGM2CTSLCTSBCTSKDPP4
SCHEMBL18045067 0.83 TGM2 (0.49) TGM2CTSLCTSBCTSKDPP4
SCHEMBL3489847 0.81 CTSL (0.62) TGM2CTSLCTSBCTSKDPP4
SCHEMBL25203367 0.79 HSD11B1 (0.60) CTSLCTSBCTSKDPP4DPP7
SCHEMBL18956862 0.78 CTSL (0.58) CTSLCTSBCTSKDPP4DPP7
SCHEMBL22829637 0.78 DPP4 (0.61) TGM2CTSLCTSBCTSKDPP4

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-3057955-B1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
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