SCHEMBL6022246

SCHEMBL6022246

COc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 2/20 0.58
PKM P14618 5/20 0.54
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 4/20 0.50
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BRAF P15056 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
BRD4 O60885 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 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
SCHEMBL6023752 0.91 SMN1; SMN2 (0.56) TP53LMNAMAPTPKMSMN1; SMN2
SCHEMBL6022292 0.90 SLC22A12 (0.55) TP53LMNAMAPTPKMPOLB
SCHEMBL5760368 0.90 LMNA (0.50) TP53LMNAMAPTPKMALDH1A1
SCHEMBL6022537 0.89 PKM (0.51) TP53LMNAMAPTPKMALDH1A1
SCHEMBL6022414 0.88 PKM (0.49) TP53LMNAMAPTPKMPOLB
SCHEMBL6023208 0.86 PKM (0.60) TP53LMNAMAPTPKMALDH1A1
SCHEMBL6022363 0.85 FFAR1 (0.55) TP53MAPTPKMSMN1; SMN2POLB
SCHEMBL6023623 0.85 PKM (0.70) MAPTPKMPOLBGAABRAF
SCHEMBL6022456 0.85 PKM (0.51) TP53LMNAMAPTPKMSMN1; SMN2
SCHEMBL6022442 0.84 PKM (0.54) TP53LMNAPKMSMN1; SMN2GAA

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-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US disclosed