SCHEMBL3658811

SCHEMBL3658811

CC(C)(C(=O)Nc1cc(-c2ccccc2)no1)S(=O)(=O)N1CCC1.CC(C)(C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)S(=O)(=O)N1CCC1.CC(C)(C(=O)Nc1nc(C2CC2)cs1)S(=O)(=O)N1CCC1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)sc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
ADORA1 P30542 8/20 0.37
ADORA2A P29274 8/20 0.37
TMIGD3 P0DMS9 2/20 0.37
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
USP30 Q70CQ3 2/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CFTR P13569 2/20 0.34
LMNA P02545 1/20 0.33
XIAP P98170 1/20 0.33
NR2F2 P24468 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL3786607 0.77 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AHPGDMAPTADORA1
SCHEMBL3775573 0.76 RORC (0.47) SMN1; SMN2KMT2AMAPTMEN1USP30
SCHEMBL3784705 0.75 ADORA1 (0.64) SMN1; SMN2KMT2AMAPTADORA1ADORA2A
SCHEMBL3658323 0.71 TMIGD3 (0.58) SMN1; SMN2KMT2AHPGDMAPTADORA1
SCHEMBL3779774 0.70 RAB9A (0.46) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL4073631 0.68 MEN1 (0.40) SMN1; SMN2KMT2AADORA1ADORA2ATMIGD3
SCHEMBL3659566 0.67 ALDH1A1 (0.54) SMN1; SMN2KMT2AHPGDMAPTMEN1
SCHEMBL3658445 0.67 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AHPGDMAPTMEN1
SCHEMBL3656851 0.66 ALDH1A1 (0.55) SMN1; SMN2KMT2AHPGDMAPTMEN1
SCHEMBL3662329 0.65 ROCK1 (0.50) SMN1; SMN2KMT2AHPGDMAPTMEN1

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-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 EP claimed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO claimed