SCHEMBL10639402

SCHEMBL10639402

CSC([S+](C)[O-])C1(O)CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ MMP2 P08253 1/20 0.36

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
SCHEMBL10639407 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTHTR2A
SCHEMBL10639622 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHTR2A
SCHEMBL10639160 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTHTR2A
SCHEMBL27640500 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHTR2A
SCHEMBL9519331 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL8587397 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL27949581 0.72 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL6397321 0.72 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTHTR2A
SCHEMBL12912355 0.72 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3039451 0.71 KCNJ1 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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-4742052-A Antibacterial β-lactam compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-05-03 — — US disclosed
EP-0070204-B1 CARBOXYLIC BETA-LACTAM COMPOUNDS AND THE PREPARATION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-19 — — EP disclosed
Send feedback