SCHEMBL4452723

SCHEMBL4452723

O=C(O)Nc1cccc(-c2nccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
KAT6A Q92794 1/20 0.50
HDAC2 Q92769 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
CASR P41180 1/20 0.48
MAPT P10636 3/20 0.46
FFAR1 O14842 1/20 0.46
NTRK1 P04629 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
VCP P55072 1/20 0.46
AURKA O14965 1/20 0.46
PIM1 P11309 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL27370385 0.84 LMNA (0.60) PDPK1MAPTMEN1ALDH1A1LMNA
SCHEMBL27964925 0.83 JAK3 (0.53) PDPK1KAT6AHDAC2CASRMAPT
SCHEMBL20557647 0.81 CNR1 (0.64) MAPTMEN1NPC1ALDH1A1LMNA
SCHEMBL30469224 0.81 CNR1 (0.64) MAPTMEN1NPC1ALDH1A1LMNA
SCHEMBL15606528 0.81 PDPK1 (0.58) PDPK1KAT6APTGDR2CDK2CYP2A6
SCHEMBL4355764 0.78 PDPK1 (0.55) PDPK1KAT6APTGDR2NTRK1NPC1
SCHEMBL2654169 0.78 PDPK1 (0.50) PDPK1KAT6AHDAC2PTGDR2MAPT
SCHEMBL939202 0.77 KAT6A (0.60) PDPK1KAT6AHDAC2PTGDR2FFAR1
SCHEMBL30850854 0.77 KAT6A (0.60) PDPK1KAT6AHDAC2PTGDR2FFAR1
SCHEMBL15805858 0.77 PDPK1 (0.72) PDPK1KAT6AHDAC2PTGDR2FFAR1

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed