SCHEMBL10639271

SCHEMBL10639271

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AKR1C3 P42330 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5724018 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL5724109 0.87 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL12912355 0.87 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL6401181 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL10639422 0.86 TPSAB1 (0.50) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL13712608 0.85 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL8587397 0.85 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL9519331 0.85 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL13713047 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL10633380 0.85 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNARAB9ANPC1

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