SCHEMBL17844110

SCHEMBL17844110

CC(C)(C)n1sc(-c2ccccc2)c(NCCCCc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 4/20 0.38
TYMP P19971 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
ASAH1 Q13510 5/20 0.37
POLB P06746 1/20 0.36
MMP8 P22894 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL17844229 0.91 MEN1 (0.48) MAOAMAOBMEN1KMT2AL3MBTL1
SCHEMBL17844227 0.85 POLB (0.39) MEN1KMT2APOLB
SCHEMBL3551960 0.84 BRD4 (0.39) MEN1KMT2AL3MBTL1POLB
SCHEMBL5184329 0.81 TYMP (0.42) MAOAMAOBMEN1KMT2AL3MBTL1
SCHEMBL17844119 0.80 TAAR1 (0.40) MEN1KMT2AGPR84POLB
SCHEMBL17844236 0.79 DRD2 (0.44) MEN1KMT2APOLB
SCHEMBL17844244 0.79 MTNR1A (0.40) L3MBTL1
SCHEMBL17844176 0.78 ADORA3 (0.35)
SCHEMBL17844148 0.78 KMT2A (0.40) MEN1KMT2AL3MBTL1
SCHEMBL17844228 0.77 CYP1A2 (0.43) KMT2A

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