SCHEMBL19668492

SCHEMBL19668492

CC(C)c1sc(N(C)C)nc1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ TGFBR1 P36897 2/20 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
SCHEMBL1760032 0.84 COPS5 (0.37) —
SCHEMBL15652654 0.77 COPS5 (0.44) MAPT
SCHEMBL15650922 0.77 MAPK1 (0.32) IKBKETBK1
SCHEMBL17076691 0.75 HCRTR2 (0.37) LMNAPOLB
SCHEMBL27571575 0.63 ALDH1A1 (0.37) MAPT
SCHEMBL15652260 0.62 ALDH1A1 (0.36) LMNA
SCHEMBL8037695 0.62 ALDH1A1 (0.36) —
SCHEMBL12292842 0.62 COPS5 (0.44) POLBMAPT
SCHEMBL10175758 0.59 COPS5 (0.39) TP53
SCHEMBL10176188 0.59 CYP1A2 (0.33) TP53

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
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 — — EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 — — WO disclosed
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