SCHEMBL10639488

SCHEMBL10639488

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(=CCS)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ MGLL Q99685 1/20 0.40

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
SCHEMBL10636731 0.89 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10638970 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10639729 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3039444 0.83 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9519331 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL8587397 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL4470296 0.79 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL27949581 0.79 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL6399274 0.79 KCNJ1 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10636257 0.79 TPSAB1 (0.49) 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 3 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
EP-0070204-A2 Carboxylic beta-lactam compounds and the preparation thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1983-01-19 — — EP disclosed
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