SCHEMBL17834322

SCHEMBL17834322

COC(=O)C(C)N1C(=O)SC(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYC P01106 16/20 1.00
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
ALDH1A1 P00352 3/20 0.79
LMNA P02545 3/20 0.79
HTT P42858 2/20 0.79
MAPT P10636 2/20 0.79
MAPK1 P28482 2/20 0.79
HPGD P15428 2/20 0.75
KDM4E B2RXH2 1/20 0.75
CYP1A2 P05177 1/20 0.75
GLA P06280 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
CYP2C9 P11712 1/20 0.75
CYP2C19 P33261 1/20 0.75

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
SCHEMBL17834343 1.00 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834329 0.92 MYC (0.85) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20362870 0.89 MYC (0.81) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834352 0.89 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17821363 0.89 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17821362 0.89 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834254 0.85 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834342 0.85 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834334 0.85 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17821374 0.83 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1

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-2016094688-A1 FUSED 1,3-AZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-16 WO disclosed