SCHEMBL17834254

SCHEMBL17834254

CCC(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 1.00
KMT2A Q03164 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 3/20 1.00
LMNA P02545 3/20 1.00
HTT P42858 2/20 1.00
HPGD P15428 2/20 1.00
KDM4E B2RXH2 1/20 1.00
CYP1A2 P05177 1/20 1.00
GLA P06280 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
MAPT P10636 2/20 0.83
MAPK1 P28482 2/20 0.83

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
SCHEMBL17834342 1.00 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834334 1.00 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834352 0.91 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17821363 0.91 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17821362 0.91 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834251 0.89 MYC (0.80) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834329 0.88 MYC (0.85) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20362879 0.87 MYC (0.77) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834253 0.85 MEN1 (1.00) MYCMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17834351 0.85 MEN1 (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