SCHEMBL2829632

SCHEMBL2829632

COc1ccc(NNC(=O)Oc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ALDH1A1 P00352 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PTGS2 P35354 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27822967 0.84 PTGS2 (0.63) MEN1KMT2APOLBTAS1R3TAS1R1
SCHEMBL20984869 0.80 RAB9A (0.49) MEN1KMT2AMAPTPOLBTAS1R3
SCHEMBL9618331 0.77 PTGS2 (0.68) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2829063 0.77 PTGS2 (0.68) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL5338241 0.74 RAB9A (0.58) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL9553829 0.72 MEN1 (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4593206 0.71 HDAC8 (0.46) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL4593208 0.71 HDAC8 (0.46) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL20984715 0.71 RAB9A (0.47) MEN1KMT2AMAPTPOLBTAS1R3
SCHEMBL3783576 0.71 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1NPC1

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-2238131-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - Portela & Ca., S.A. (PT) 2010-10-13 EP disclosed
WO-2009084970-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL-PORTELA & COMPANHIA, S.A. (PT) 2009-07-09 WO disclosed