SCHEMBL9129277

SCHEMBL9129277

O=C(CSC(=O)c1ccccc1)Nc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
KMT2A Q03164 2/20 0.75
MAPT P10636 1/20 0.75
L3MBTL1 Q9Y468 3/20 0.64
GPR139 Q6DWJ6 1/20 0.56
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.53
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 2/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
NPY5R Q15761 1/20 0.48

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
SCHEMBL8526073 0.88 KMT2A (0.82) ALDH1A1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL12297966 0.85 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTL3MBTL1GPR139
SCHEMBL8425114 0.84 KMT2A (0.56) ALDH1A1KMT2AMAPTL3MBTL1GPR139
SCHEMBL8748203 0.81 KMT2A (0.53) ALDH1A1KMT2AMAPTL3MBTL1GPR139
SCHEMBL14242027 0.80 MAPT (0.70) ALDH1A1KMT2AMAPTL3MBTL1TSHR
SCHEMBL12642206 0.80 GPR139 (0.62) ALDH1A1KMT2AMAPTL3MBTL1GPR139
SCHEMBL8748201 0.80 L3MBTL1 (0.55) ALDH1A1KMT2AMAPTL3MBTL1GPR139
SCHEMBL9126255 0.79 L3MBTL1 (0.72) ALDH1A1MAPTL3MBTL1TSHRSMN1; SMN2
SCHEMBL13333916 0.79 MAPT (0.57) ALDH1A1KMT2AMAPTL3MBTL1TSHR
SCHEMBL8980470 0.78 GPR139 (0.52) ALDH1A1KMT2AMAPTL3MBTL1GPR139

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US claimed
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed
US-5015448-A Particulate material suitable for selectively separating metal cations from aqueous solutions, process for its production, and use thereof GUTEC GESELLSCHAFT ZUR ENTWICKLUNG VON UMWELTSCHUTZTECHNOLOGIE MBH (DE) 1991-05-14 US disclosed