SCHEMBL27768109

SCHEMBL27768109

NC(=O)Oc1ccsc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.45
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.38
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
BACE1 P56817 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM6 O15303 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL5728136 0.80 KDM4E (0.50) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL27849214 0.79 ELANE (0.45) BCAT2KMT2ATP53ALOX15MAPK1
SCHEMBL27767996 0.75 MAPK1 (0.40) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL6623848 0.74 BCAT2 (0.55) BCAT2KMT2ATP53ALOX15MAPK1
SCHEMBL8778284 0.72 KEAP1 (0.42) KMT2ATP53ALOX15MAPK1PTGS2
SCHEMBL10258518 0.71 TP53 (0.38) BCAT2KMT2ATP53ALOX15MAPK1
SCHEMBL274364 0.71 FABP3 (0.53) BCAT2TP53MAPK1KDM4ELMNA
SCHEMBL28889801 0.71 PLA2G10 (0.37) KMT2AMAPK1MEN1ALOX5LMNA
SCHEMBL27768002 0.71 KMT2A (0.36) BCAT2KMT2AMAPK1MEN1ALDH1A1
SCHEMBL27789564 0.70 KDM4E (0.54) BCAT2KMT2AKDM4EMEN1ALOX5

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
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 CN disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 CN disclosed