SCHEMBL3429520

SCHEMBL3429520

O=C(O)c1cn2cccc2s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BCL2L1 Q07817 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 1/20 0.35
PKM P14618 1/20 0.33
LIG1 P18858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GPR35 Q9HC97 2/20 0.32
HPGDS O60760 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL20547239 0.69 GPR35 (0.38) DAOBCL2L1MEN1POLBRAB9A
SCHEMBL268708 0.68 HCAR2 (0.38) DAOMEN1KMT2APKMKDM4E
SCHEMBL2998562 0.63 WDR91 (0.44) DAOMEN1RAB9AKMT2APKM
SCHEMBL70493 0.62 DAO (0.67) DAOMEN1POLBRAB9AKMT2A
SCHEMBL19987844 0.60 DAO (0.64) DAOMEN1POLBRAB9AKMT2A
SCHEMBL11598753 0.60 DAO (0.64) DAOMEN1POLBRAB9AKMT2A
Hydrochloric Acid SCHEMBL3074364 0.60 DAO (0.64) DAOMEN1POLBRAB9AKMT2A
Hydrochloric Acid SCHEMBL1979156 0.60 DAO (0.64) DAOMEN1POLBRAB9AKMT2A
SCHEMBL6419880 0.60 ALOX15 (0.43) DAOPTGS1PTGS2DHODHKDM4E
SCHEMBL28353716 0.60 DAO (0.64) DAOMEN1POLBRAB9AKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101965343-A 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN disclosed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP disclosed
CN-101790515-A trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD 2010-07-28 CN disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed