SCHEMBL8632801

SCHEMBL8632801

C=CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM1A O60341 3/20 0.41
NAT1 P18440 1/20 0.40
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
CDC7 O00311 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL8631597 0.91 SMN1; SMN2 (0.42) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8631604 0.86 SMN1; SMN2 (0.46) MEN1KMT2AKDM1ANAT1EDNRB
SCHEMBL8631830 0.86 CDC7 (0.44) MEN1KMT2AKDM1ANAT1EDNRB
SCHEMBL8630029 0.85 MEN1 (0.45) MEN1KMT2AKDM1ANAT1EDNRB
SCHEMBL8629761 0.85 PTGS2 (0.48) MEN1KMT2AKDM1ANAT1EDNRB
SCHEMBL8635404 0.84 MAPT (0.41) MEN1KMT2AKDM1ANAT1EDNRB
SCHEMBL8627773 0.84 PRMT1 (0.42) MEN1KMT2AKDM1ANAT1EDNRB
SCHEMBL8628070 0.84 MEN1 (0.43) MEN1KMT2AKDM1ANAT1EDNRB
SCHEMBL8631151 0.83 MEN1 (0.41) MEN1KMT2AKDM1ANAT1EDNRB
SCHEMBL8633160 0.83 MEN1 (0.43) MEN1KMT2AKDM1ANAT1EDNRB

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