SCHEMBL8632683

SCHEMBL8632683

C=CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
AR P10275 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM1A O60341 2/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
PLEC Q15149 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8633054 0.91 SMN1; SMN2 (0.41) MEN1KMT2AARMAPTLMNA
SCHEMBL8630518 0.89 AR (0.43) MEN1KMT2AARPTGS1PTGS2
SCHEMBL8635051 0.88 SMN1; SMN2 (0.42) MEN1KMT2AARPTGS1PTGS2
SCHEMBL8631648 0.87 AR (0.41) MEN1KMT2AARPTGS1PTGS2
SCHEMBL8628070 0.85 MEN1 (0.43) MEN1KMT2AKDM1AEDNRBEDNRA
SCHEMBL8632284 0.85 AR (0.40) MEN1KMT2AARPTGS1PTGS2
SCHEMBL8634845 0.83 PI4KB (0.38) ARPTGS1PTGS2EDNRAHTT
SCHEMBL8630029 0.81 MEN1 (0.45) MEN1KMT2AKDM1AEDNRBEDNRA
SCHEMBL8631394 0.81 AR (0.43) MEN1KMT2AARPTGS2MAPT
SCHEMBL8632801 0.80 MEN1 (0.43) MEN1KMT2AKDM1AEDNRBEDNRA

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed