SCHEMBL8098178

SCHEMBL8098178

O=C(NCCNS(=O)(=O)c1ccccc1)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
EPHX2 P34913 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 2/20 0.53
USP2 O75604 2/20 0.52
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.50
PPARG P37231 1/20 0.49

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
SCHEMBL4825547 0.83 TAAR1 (0.49) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL21051622 0.78 USP2 (0.68) KMT2AALDH1A1SMN1; SMN2PKMUSP2
SCHEMBL4613052 0.77 MAPT (0.54) POLBALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL28079639 0.76 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL8349568 0.76 ALDH1A1 (0.79) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL28952726 0.75 USP2 (0.64) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL5842906 0.75 USP2 (0.60) ALDH1A1SMN1; SMN2PKMUSP2GAA
SCHEMBL5842918 0.75 USP2 (0.60) ALDH1A1SMN1; SMN2PKMUSP2MAPT
SCHEMBL3189768 0.75 SMN1; SMN2 (0.61) KMT2APOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL8393373 0.74 GBA1 (0.60) KMT2AALDH1A1SMN1; SMN2PKMRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed