SCHEMBL4075250

SCHEMBL4075250

CC(C)(C(=O)Nc1nc2ccccc2o1)S(=O)(=O)c1ccc(Cl)cc1F.Cc1sc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM1A O60341 1/20 0.41
LMNA P02545 3/20 0.41
ALOX5 P09917 1/20 0.40
GSTO1 P78417 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
CNR2 P34972 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL1466234 0.90 MEN1 (0.52) MEN1KMT2AKDM1ALMNAALOX5
SCHEMBL1463887 0.87 CNR2 (0.48) MAPTSMN1; SMN2RAB9ACNR2NPC1
SCHEMBL1465579 0.79 ALDH1A1 (0.50) MAPTCNR2HPGDALDH1A1HSD17B10
SCHEMBL4073631 0.78 MEN1 (0.40) MEN1KMT2AKDM1ALMNAALOX5
SCHEMBL1465768 0.77 CNR2 (0.59) MEN1KMT2AKDM1ALMNAALOX5
SCHEMBL1465943 0.76 DHODH (0.55) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL1466154 0.73 MEN1 (0.53) MEN1KMT2AKDM1ALMNAMAPT
SCHEMBL1463901 0.73 CNR2 (0.59) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL1465767 0.71 ALDH1A1 (0.55) CNR2ALDH1A1PKMNPSR1CNR1
SCHEMBL3960775 0.71 CNR2 (0.42) MAPTCNR2HPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed