SCHEMBL4808531

SCHEMBL4808531

Nc1cccc(C2(c3cccc(Oc4ccc(Cl)cc4)c3)NC(=O)CS2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 3/20 0.38
ALDH1A1 P00352 3/20 0.36
MAOA P21397 2/20 0.36
MEN1 O00255 3/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP1 Q9C000 1/20 0.35
NOD2 Q9HC29 1/20 0.35
LMNA P02545 2/20 0.33
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 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
SCHEMBL4744284 0.85 KMT2A (0.47) ADAMTS5KMT2AMAPK1MAOBALDH1A1
SCHEMBL4810958 0.72 KIF11 (0.43) ADAMTS5ALDH1A1MAPTLMNAPOLB
SCHEMBL633139 0.72 MAOB (0.70) ATMKMT2AMAOBALDH1A1MAOA
SCHEMBL30307025 0.72 MAOB (0.70) ATMKMT2AMAOBALDH1A1MAOA
SCHEMBL4848527 0.70 NR1H2 (0.35) ADAMTS5ALDH1A1GAALTA4HPPARG
SCHEMBL6686421 0.65 GFER (0.47) ADAMTS5MAOBALDH1A1MAOAGAA
SCHEMBL29352463 0.63 MAOB (0.86) ATMKMT2AMAOBALDH1A1MAOA
SCHEMBL128748 0.63 MAOB (0.86) ATMKMT2AMAOBALDH1A1MAOA
SCHEMBL204267 0.63 MAOB (0.86) ATMKMT2AMAOBALDH1A1MAOA
SCHEMBL29363390 0.63 MAOB (0.86) ATMKMT2AMAOBALDH1A1MAOA

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-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed