SCHEMBL11490044

SCHEMBL11490044

NC(=O)CCCN(Cc1ccc(Cl)cc1)C(=S)S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 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
SCHEMBL11490047 0.86 SIGMAR1 (0.42) SIGMAR1CNR2CYP2C9CYP2C19POLB
SCHEMBL11493894 0.84 TMEM97 (0.44) SIGMAR1CNR2POLBMEN1KMT2A
SCHEMBL11494197 0.84 CNR2 (0.48) CNR2POLBMEN1KMT2AALDH1A1
SCHEMBL11495362 0.81 HTT (0.49) POLBMEN1KMT2ALMNAHTT
SCHEMBL11491362 0.80 HPGD (0.51) SIGMAR1CYP2C9CYP2C19POLBMEN1
SCHEMBL8987627 0.79 CYP2C9 (0.47) SIGMAR1CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL11495723 0.78 USP2 (0.53) CYP2C9CYP2C19POLBKMT2AALDH1A1
SCHEMBL11490144 0.77 HTT (0.56) SIGMAR1MEN1KMT2AALDH1A1HTT
SCHEMBL11490096 0.77 POLB (0.55) CYP2C9CYP2C19POLBMEN1KMT2A
SCHEMBL11496728 0.77 ALDH1A1 (0.46) SIGMAR1CNR2CYP2C9CYP2C19POLB

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
US-4202832-A ANTILIPEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-05-13 — — US disclosed
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