SCHEMBL17844229

SCHEMBL17844229

CC(C)(C)n1sc(-c2ccccc2)c(NCCc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CTDSP1 Q9GZU7 1/20 0.43
POLB P06746 3/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.39
TLR9 Q9NR96 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
NSD2 O96028 1/20 0.37

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
SCHEMBL17844110 0.91 MAOA (0.40) MEN1KMT2APOLBMAOAMAOB
SCHEMBL3551960 0.87 BRD4 (0.39) MEN1KMT2APOLBGAAMAPT
SCHEMBL17844119 0.85 TAAR1 (0.40) MEN1KMT2APOLBGAAMAPT
SCHEMBL17844227 0.84 POLB (0.39) MEN1KMT2APOLBMAPTHPGD
SCHEMBL5184298 0.80 CA12 (0.33) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL17844175 0.78 CA12 (0.38) MEN1KMT2APOLBGAAMAPT
SCHEMBL17844244 0.77 MTNR1A (0.40) GAAHPGDLMNAATMNPSR1
SCHEMBL17844236 0.77 DRD2 (0.44) MEN1KMT2APOLBGAALMNA
SCHEMBL17844198 0.77 MEN1 (0.48) MEN1KMT2ACTDSP1POLBGAA
SCHEMBL17844148 0.76 KMT2A (0.40) MEN1KMT2AGAAMAPTHPGD

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