SCHEMBL14686201

SCHEMBL14686201

O=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1)NCC(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP1 P03956 1/20 0.41
CCR2 P41597 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Hydrochloric Acid SCHEMBL3047996 0.99 PTGDR2 (0.42) PTGDR2MEN1KMT2APOLBCNR1
SCHEMBL3273942 0.96 PTGDR2 (0.46) PTGDR2KMT2APOLBCNR1CNR2
Hydrochloric Acid SCHEMBL3288810 0.96 PTGDR2 (0.45) PTGDR2KMT2APOLBCNR1CNR2
SCHEMBL15103816 0.93 GAA (0.45) PTGDR2KMT2ACNR1CNR2CACNA1H
Hydrochloric Acid SCHEMBL3273505 0.92 GAA (0.44) PTGDR2KMT2ACNR1CNR2CACNA1H
SCHEMBL15103767 0.88 HSD17B10 (0.50) PTGDR2KMT2ACNR1CNR2CACNA1H
SCHEMBL15103796 0.87 GAA (0.51) PTGDR2MEN1KMT2ACNR1CNR2
SCHEMBL15103733 0.87 GAA (0.51) PTGDR2MEN1KMT2ACNR1CNR2
SCHEMBL15103780 0.87 GAA (0.51) PTGDR2MEN1KMT2ACNR1CNR2
Hydrochloric Acid SCHEMBL3281099 0.87 PREP (0.43) KMT2ACACNA1HCACNA1BTDP1GAA

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-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP claimed