SCHEMBL4237180

SCHEMBL4237180

O=C(O)c1c(C2CC2)[nH]c2ncc(F)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.36
HCAR2 Q8TDS4 1/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HSD11B1 P28845 1/20 0.34
MAPK1 P28482 2/20 0.33
DHODH Q02127 1/20 0.33
DAO P14920 1/20 0.32
DDO Q99489 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
SCHEMBL20573191 0.74 AGBL2 (0.40) PADI4HCAR2DHODH
SCHEMBL6341275 0.73 HCAR2 (0.35) PADI4HCAR2GSK3AGSK3BDAO
SCHEMBL28757158 0.70 DAO (0.52) PADI4DHODHDAODDO
SCHEMBL6904417 0.69 IDO1 (0.38) HCAR2
SCHEMBL6004835 0.68 POLB (0.34) HCAR2GSK3AGSK3B
SCHEMBL9149346 0.67 KDM4E (0.56) GSK3AGSK3B
SCHEMBL29979783 0.67 KDM4E (0.56) GSK3AGSK3B
Hydrochloric Acid SCHEMBL27672178 0.66 KDM4E (0.55) GSK3AGSK3B
SCHEMBL9844933 0.65 HTR3A (0.33) MAPK1
SCHEMBL7557799 0.64 ALDH1A1 (0.51) GSK3AGSK3B

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
US-8753875-B2 Compositions and means for diagnosing microbial infections STATENS SERUM INSTITUT (DK) 2014-06-17 US disclosed
US-20090068696-A1 COMPOSITIONS AND MEANS FOR DIAGNOSING MICROBIAL INFECTIONS STATENS SERUM INSTITUT 2009-03-12 US disclosed