SCHEMBL17066579

SCHEMBL17066579

O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1Br

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 1/20 0.66
▸ ALDH1A1 P00352 4/20 0.62
▸ LMNA P02545 3/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ GPR27 Q9NS67 8/20 0.61
▸ AVPR2 P30518 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ PLK1 P53350 1/20 0.54
▸ MAPT P10636 1/20 0.53

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
SCHEMBL13454757 0.89 AVPR2 (0.64) GPR55ALDH1A1LMNASMN1; SMN2GPR27
SCHEMBL13454759 0.88 ALDH1A1 (0.67) GPR55ALDH1A1LMNASMN1; SMN2GPR27
SCHEMBL13454628 0.87 PKM (0.56) GPR55ALDH1A1LMNASMN1; SMN2GPR27
SCHEMBL16358462 0.87 GPR55 (0.67) GPR55ALDH1A1LMNASMN1; SMN2GPR27
SCHEMBL12903592 0.86 ALDH1A1 (0.55) GPR55ALDH1A1LMNASMN1; SMN2GPR27
SCHEMBL13453739 0.86 ALDH1A1 (0.72) ALDH1A1MEN1KMT2A
SCHEMBL13454758 0.86 ALDH1A1 (0.69) GPR55ALDH1A1LMNASMN1; SMN2GPR27
SCHEMBL17066663 0.86 ALDH1A1 (0.69) GPR55ALDH1A1LMNASMN1; SMN2GPR27
SCHEMBL17066701 0.86 GPR55 (0.66) GPR55ALDH1A1LMNASMN1; SMN2GPR27
SCHEMBL13453772 0.86 ALDH1A1 (0.67) GPR55ALDH1A1LMNASMN1; SMN2GPR27

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-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 — — US disclosed
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