SCHEMBL8869014

SCHEMBL8869014

O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HIF1A Q16665 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
AKR1C3 P42330 1/20 0.47
HTT P42858 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
SCHEMBL8870157 0.94 P4HTM (0.52) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8869181 0.94 P4HTM (0.54) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8869077 0.94 P4HTM (0.51) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8869195 0.93 MAPT (0.50) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8869658 0.92 HTT (0.57) P4HTMRAB9AALDH1A1HDAC2HDAC8
SCHEMBL9138339 0.92 P4HTM (0.65) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8869497 0.92 NPC1 (0.48) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8869159 0.90 P4HTM (0.58) P4HTMRAB9ANPC1SMN1; SMN2HDAC2
SCHEMBL8869531 0.90 RAB9A (0.52) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8867838 0.89 KMT2A (0.56) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed