SCHEMBL20198202

SCHEMBL20198202

O=C(NC1CC1)c1ccc(S(=O)(=O)NC(=O)c2ccccc2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
LMNA P02545 3/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MAPK1 P28482 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL29963721 0.86 LMNA (0.54) KDM4ELMNAHPGDALDH1A1NPC1
SCHEMBL29022807 0.86 LMNA (0.54) KDM4ELMNAHPGDALDH1A1NPC1
SCHEMBL3299759 0.86 FLT1 (0.65) LMNAHPGDALDH1A1NPC1RAB9A
SCHEMBL15087952 0.85 LMNA (0.62) LMNAHPGDALDH1A1NPC1RAB9A
SCHEMBL15500985 0.83 LMNA (0.51) KDM4ELMNAHPGDALDH1A1NPC1
SCHEMBL120129 0.83 KCNA3 (0.52) LMNAHPGDNPC1RAB9AKMT2A
SCHEMBL3655826 0.83 KCNA3 (0.52) LMNAHPGDNPC1RAB9AKMT2A
SCHEMBL29687002 0.83 KCNA3 (0.52) LMNAHPGDNPC1RAB9AKMT2A
SCHEMBL28864011 0.81 FLT1 (0.61) LMNAALDH1A1RAB9AHTTKMT2A
SCHEMBL31249658 0.80 HSD17B10 (0.53) LMNAHPGDALDH1A1RAB9AKMT2A

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-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP disclosed