SCHEMBL7918968

SCHEMBL7918968

COC(=O)COc1ccc(SCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
PTGS2 P35354 1/20 0.56
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7918909 0.89 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7919288 0.88 ALDH1A1 (0.66) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL7918958 0.87 ALDH1A1 (0.65) ALDH1A1CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL7911909 0.86 ALDH1A1 (0.63) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL7918861 0.86 ALDH1A1 (0.63) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL7911889 0.85 TSHR (0.48) ALDH1A1CYP2C9CYP2C19PTGS2KMT2A
SCHEMBL7919333 0.85 MEN1 (0.54) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL7918880 0.84 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL7918919 0.84 ALDH1A1 (0.61) ALDH1A1CYP2C9CYP2C19PTGS2KMT2A
SCHEMBL7921023 0.83 ALDH1A1 (0.60) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2

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