SCHEMBL7328316

SCHEMBL7328316

COc1cc(O)cc(N(C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PGR P06401 2/20 0.55
HSD17B1 P14061 3/20 0.49
HSD17B2 P37059 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NR1I2 O75469 1/20 0.47
KEAP1 Q14145 1/20 0.47

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
SCHEMBL7360039 0.86 PGR (0.58) L3MBTL1PGRHSD17B1HSD17B2MEN1
SCHEMBL7333133 0.83 L3MBTL1 (0.56) L3MBTL1PGRMEN1KMT2AKDM4E
SCHEMBL10186896 0.81 PGR (0.70) L3MBTL1PGRMAPTSMN1; SMN2NR1I2
SCHEMBL27336368 0.79 HSD17B1 (0.51) PGRHSD17B1HSD17B2MEN1KMT2A
SCHEMBL7324146 0.79 KMT2A (0.55) L3MBTL1PGRMEN1KMT2AMAPT
SCHEMBL10186886 0.79 L3MBTL1 (0.83) L3MBTL1PGRMEN1KMT2AKDM4E
SCHEMBL6297317 0.77 HSD17B1 (0.77) HSD17B1HSD17B2NPC1RAB9AALDH1A1
SCHEMBL22792328 0.77 L3MBTL1 (0.56) L3MBTL1PGRKMT2AALDH1A1MAPT
SCHEMBL7267305 0.75 PGR (0.82) L3MBTL1PGRMEN1KMT2AKDM4E
SCHEMBL7337429 0.75 KMT2A (0.54) HSD17B1HSD17B2MEN1KMT2ANPC1

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed