SCHEMBL7924029

SCHEMBL7924029

NC(=O)COc1ccc(SCCN(O)S(=O)(=O)c2ccc(Cl)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
NR2F2 P24468 1/20 0.34

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
SCHEMBL7918887 0.90 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7920993 0.89 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7924099 0.81 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7918977 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7919292 0.78 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7911832 0.71 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7918979 0.71 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7920759 0.70 ALDH1A1 (0.79) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7924034 0.70 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL28396966 0.70 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed