SCHEMBL11490047

SCHEMBL11490047

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.42
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 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
SCHEMBL11494201 0.87 CNR2 (0.46) SIGMAR1MEN1KMT2AALDH1A1POLB
SCHEMBL11490044 0.86 SIGMAR1 (0.42) SIGMAR1MEN1KMT2AALDH1A1POLB
SCHEMBL11491368 0.83 HPGD (0.49) SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11490146 0.81 HTT (0.55) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL11495724 0.81 USP2 (0.51) SIGMAR1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL11496730 0.81 ALDH1A1 (0.43) SIGMAR1MEN1KMT2AALDH1A1POLB
SCHEMBL11490100 0.81 POLB (0.53) MEN1KMT2APOLBLMNACYP2C9
SCHEMBL8987627 0.79 CYP2C9 (0.47) SIGMAR1ALDH1A1CYP2C9CYP2C19TMEM97
SCHEMBL8987690 0.76 TMEM97 (0.59) SIGMAR1ALDH1A1CYP2C9CYP2C19TMEM97
SCHEMBL11493896 0.75 KMT2A (0.42) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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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