SCHEMBL17844195

SCHEMBL17844195

O=c1c(NCCCCc2ccccc2)c(-c2ccccc2)sn1Cc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 3/20 0.41
KDM8 Q8N371 3/20 0.41
HPGD P15428 2/20 0.40
KAT2B Q92831 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
F2 P00734 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RIOX2 Q8IUF8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ASAH1 Q13510 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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 0.87 TYMP (0.42) ASPHKDM8KAT2BKDM6BKDM4C
SCHEMBL17844133 0.85 KDM6B (0.43) ASPHKDM8HPGDKAT2BKDM6B
SCHEMBL17844110 0.73 MAOA (0.40) ASPHKDM8KDM6BKDM4CMAOA
SCHEMBL17844245 0.72 CYP1A2 (0.42) HPGDALOX15TDP1KDM4EMEN1
SCHEMBL17844150 0.71 MKNK1 (0.45) ALOX15TDP1F2MAOBALDH1A1
SCHEMBL17844216 0.71 EPHX1 (0.40) ASPHKDM8MAOAMAOBKDM4E
SCHEMBL6423073 0.65 HRH1 (0.63) HPGDALOX15TDP1MAOAALDH1A1
SCHEMBL17844229 0.65 MEN1 (0.48) HPGDMAOAMAOBKDM4EMEN1
SCHEMBL5186011 0.64 ALDH1A1 (0.48) HPGDKAT2BMEN1KMT2AALDH1A1
SCHEMBL12040591 0.64 HRH1 (0.67) HPGDALOX15TDP1MAOAALDH1A1

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