SCHEMBL2828660

SCHEMBL2828660

O=C(Cl)Oc1cccnc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.43
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
USP2 O75604 1/20 0.40
GRM4 Q14833 2/20 0.38
LMNA P02545 5/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM1A O60341 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL2659030 0.81 KDM4E (0.50) S1PR4TRIM24TRIM33USP2LMNA
SCHEMBL5309545 0.81 TRIM24 (0.40) S1PR4TRIM24TRIM33USP2GRM4
SCHEMBL5718211 0.79 SMN1; SMN2 (0.48) LMNAKDM4ETDP1CYP3A4ALOX12
SCHEMBL3294621 0.75 LMNA (0.65) USP2LMNAMETAP2METAP1HDAC6
SCHEMBL4687124 0.75 BRD4 (0.40) S1PR4GRM4LMNAKDM4ECYP3A4
SCHEMBL7695682 0.74 KMT2A (0.45) LMNATDP1L3MBTL1MEN1KMT2A
SCHEMBL27642657 0.74 CHRM2 (0.40) S1PR4USP2LMNAL3MBTL1SMN1; SMN2
SCHEMBL6970751 0.74 KDM4E (0.47) USP2KDM4ETDP1CYP3A4ALOX12
SCHEMBL5429041 0.73 L3MBTL1 (0.51) S1PR4GRM4KDM4ETDP1POLB
SCHEMBL30524282 0.73 SERPINE1 (0.43) LMNAKDM4ETDP1SMN1; SMN2GAA

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