SCHEMBL17066664

SCHEMBL17066664

COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ ALOX12 P18054 2/20 0.65
▸ TAAR1 Q96RJ0 1/20 0.65
▸ MAPT P10636 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ PPIA P62937 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ PNLIP P16233 1/20 0.56
▸ GPR55 Q9Y2T6 2/20 0.54
▸ AVPR2 P30518 1/20 0.54
▸ GPR27 Q9NS67 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL13453795 0.89 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454546 0.89 CA1 (0.71) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL16358462 0.89 GPR55 (0.67) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL17066548 0.89 KMT2A (0.70) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL13454757 0.88 AVPR2 (0.64) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454714 0.88 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454720 0.88 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454385 0.88 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13470045 0.87 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454742 0.86 MAPT (0.61) ALDH1A1KMT2AMEN1ALOX12TAAR1

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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