SCHEMBL8869423

SCHEMBL8869423

COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)NC(=O)c3ccc(C(=O)NCCO)nc3)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.55
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.50
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL8868897 0.94 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL9139641 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL8868339 0.91 CA1 (0.61) ALDH1A1SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL8867838 0.90 KMT2A (0.56) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL8868857 0.90 TSHR (0.61) ALDH1A1SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL7870454 0.90 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL8869612 0.87 MEN1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL8869195 0.86 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTGAANPC1
SCHEMBL9018568 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL8869014 0.86 P4HTM (0.54) ALDH1A1SMN1; SMN2HTTNPC1RAB9A

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