SCHEMBL8643198

SCHEMBL8643198

O=S(=O)(CC1CCCO1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 4/20 0.48
NR2F2 P24468 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47
CRBN Q96SW2 1/20 0.46
CXCR4 P61073 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL23370065 0.84 AOC2 (0.55) AOC2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL30361453 0.84 AOC2 (0.55) AOC2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5140258 0.84 AOC2 (0.55) AOC2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28170343 0.84 AOC2 (0.51) AOC2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4961361 0.80 AOC2 (0.51) AOC2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1938543 0.80 AOC2 (0.51) AOC2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL21820745 0.76 CRBN (0.53) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL4595077 0.76 CRBN (0.55) AOC2MEN1KMT2AALDH1A1CRBN
SCHEMBL28956797 0.76 SLC12A2 (0.49) AOC2MEN1KMT2AKDM4EALDH1A1
SCHEMBL23732536 0.76 MMP2 (0.48) AOC2SMN1; SMN2LMNAMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744465-A Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1998-04-28 US disclosed