SCHEMBL7918977

SCHEMBL7918977

C[N+](C)(CCSc1ccc(OCC(N)=O)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 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 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.38
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ACLY P53396 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 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
SCHEMBL7921095 0.90 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7911824 0.89 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7924099 0.80 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7924029 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7918551 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7911832 0.71 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7918979 0.70 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7920759 0.69 ALDH1A1 (0.79) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7924034 0.69 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL28396966 0.69 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 6 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
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed