SCHEMBL8544004

SCHEMBL8544004

O=C(COc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)Nc1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.70
LMNA P02545 3/20 0.68
GALR3 O60755 2/20 0.68
STAT3 P40763 1/20 0.68
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 2/20 0.56
PKM P14618 2/20 0.55
HSP90AA1 P07900 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 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
SCHEMBL7327269 0.90 F2 (0.66) F2LMNAGALR3STAT3KMT2A
SCHEMBL7330380 0.88 F2 (0.69) F2LMNAGALR3STAT3KMT2A
SCHEMBL8543743 0.88 F2 (0.68) F2LMNAGALR3STAT3KMT2A
SCHEMBL8548599 0.88 F2 (0.68) F2LMNAGALR3POLBKMT2A
SCHEMBL7329316 0.86 LMNA (0.59) F2LMNAGALR3STAT3CYP1A2
SCHEMBL7359983 0.86 ROCK2 (0.62) F2LMNAPOLBKMT2AMEN1
SCHEMBL7357930 0.84 KMT2A (0.55) F2LMNAGALR3STAT3POLB
SCHEMBL7324125 0.83 F2 (0.60) F2LMNAKMT2AMEN1PKM
SCHEMBL8544836 0.82 F2 (1.00) F2KMT2AMEN1
SCHEMBL7336884 0.80 GALR3 (0.64) LMNAGALR3STAT3POLBKMT2A

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed