SCHEMBL8423293

SCHEMBL8423293

COc1nc(-c2ccc3c(c2)OCO3)c(NS(=O)(=O)c2ccccc2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.46
ADORA1 P30542 7/20 0.46
PIK3CD O00329 2/20 0.45
ADORA2A P29274 6/20 0.43
ADORA2B P29275 3/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.42
ACLY P53396 2/20 0.42
PIK3CG P48736 2/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
TUBB4A P04350 1/20 0.40

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
SCHEMBL8421259 0.85 KDM4E (0.52) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8421240 0.84 KDM4E (0.47) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL8423281 0.83 KDM4E (0.48) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL8419850 0.83 ACLY (0.57) KDM4EACLYPIK3CGPIK3CATUBB4A
SCHEMBL8423384 0.83 STAT3 (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8423244 0.83 KDM4E (0.46) KDM4EPIK3CDMEN1KMT2AACLY
SCHEMBL8419328 0.82 KDM4E (0.53) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL8423385 0.82 KDM4E (0.47) KDM4EACLYPIK3CGTUBB4ATUBB
SCHEMBL8421277 0.82 KDM4E (0.47) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL8423073 0.82 STAT3 (0.48) MAPTALDH1A1KDM4EHPGDMEN1

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
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed