SCHEMBL3468905

SCHEMBL3468905

CCCC[C@@H]1CCOC2(O1)C(=O)Nc1ccc(NS(C)(=O)=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
PKLR P30613 1/20 0.34
F2 P00734 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
SLC10A2 Q12908 1/20 0.33
NQO2 P16083 1/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL2761926 0.82 NQO2 (0.38) BRD4KMT2ASMN1; SMN2NQO2
SCHEMBL3467484 0.66 KMT2A (0.43) BRD4KMT2A
SCHEMBL3468222 0.65 KMT2A (0.35) KMT2A
SCHEMBL13196473 0.64 GAA (0.57) BRD4KMT2ASMN1; SMN2PKLRNQO2
SCHEMBL15520597 0.60 NR3C1 (0.52) NPC1RAB9ANR3C1
SCHEMBL16803210 0.59 BRD4 (0.70) BRD4SMN1; SMN2
SCHEMBL749632 0.59 HTR1A (0.39)
SCHEMBL30213370 0.59 CNR1 (0.37) BRD4SMN1; SMN2
SCHEMBL9097140 0.59 KMT2A (0.67) KMT2ASMN1; SMN2
SCHEMBL11516736 0.58 ALDH1A1 (0.39) BRD4SMN1; SMN2

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
WO-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO claimed