SCHEMBL17066624

SCHEMBL17066624

CC(C)Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.59
▸ MEN1 O00255 12/20 0.59
▸ MAPT P10636 9/20 0.59
▸ ALDH1A1 P00352 8/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ LMNA P02545 4/20 0.57
▸ HTT P42858 4/20 0.57
▸ USP2 O75604 3/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ GAA P10253 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ GPR55 Q9Y2T6 1/20 0.52

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
SCHEMBL17066565 0.87 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13453805 0.87 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13454767 0.87 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL17066650 0.86 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13454397 0.86 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13453840 0.85 MAPT (0.66) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL17066669 0.85 KMT2A (0.63) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13454709 0.85 MEN1 (0.66) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13454756 0.85 MEN1 (0.66) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13454771 0.85 GPR55 (0.68) KMT2AMEN1MAPTALDH1A1SMN1; 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-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 — — US disclosed
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