SCHEMBL17844133

SCHEMBL17844133

O=c1c(NCCCCc2ccccc2)c(-c2ccccc2)sn1Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
GSK3B P49841 2/20 0.40
ASPH Q12797 2/20 0.40
KDM8 Q8N371 2/20 0.40
ASAH1 Q13510 3/20 0.39
KAT2B Q92831 1/20 0.39
TYMP P19971 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CASP3 P42574 1/20 0.37
GBA1 P04062 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5184329 0.93 TYMP (0.42) KDM6BKDM4CASPHKDM8ASAH1
SCHEMBL5224541 0.89 GBA1 (0.44) KDM6BKDM4CGSK3BASPHKDM8
SCHEMBL17844195 0.85 ASPH (0.41) KDM6BKDM4CASPHKDM8ASAH1
SCHEMBL17844110 0.75 MAOA (0.40) KDM6BKDM4CASPHKDM8ASAH1
SCHEMBL5197239 0.73 GSK3B (0.43) KDM6BKDM4CGSK3BMAOAMAOB
SCHEMBL17844216 0.72 EPHX1 (0.40) GSK3BASPHKDM8ASAH1TYMP
SCHEMBL2001043 0.70 ASAH1 (0.41) KDM6BKDM4CGSK3BASAH1TYMP
SCHEMBL4023147 0.67 MAPKAPK2 (0.67) KDM6BKDM4CGSK3BASPHKDM8
SCHEMBL6191025 0.67 KCNH3 (0.58) KDM6BKDM4CHPGD
SCHEMBL17844229 0.66 MEN1 (0.48) MAOAMAOBCASP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed