SCHEMBL17834346

SCHEMBL17834346

NCCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 15/20 0.86
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
HPGD P15428 3/20 0.77
ALDH1A1 P00352 4/20 0.75
LMNA P02545 3/20 0.75
MAPT P10636 3/20 0.75
MAPK1 P28482 2/20 0.75
HTT P42858 2/20 0.67
KDM4E B2RXH2 2/20 0.65
CYP1A2 P05177 1/20 0.65
GLA P06280 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53

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
Trifluoroacetic Acid SCHEMBL17821378 0.93 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2HPGD
Trifluoroacetic Acid SCHEMBL17821379 0.93 MYC (1.00) MYCMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17834348 0.88 MYC (0.75) MYCMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL20362861 0.88 MYC (0.82) MYCMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17834351 0.87 MEN1 (1.00) MYCMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17834253 0.87 MEN1 (1.00) MYCMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17834350 0.87 MEN1 (0.76) MYCMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17821453 0.87 MYC (0.84) MYCMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17821454 0.87 MYC (0.84) MYCMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17834257 0.86 MEN1 (1.00) MYCMEN1KMT2ASMN1; SMN2HPGD

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