SCHEMBL14148652

SCHEMBL14148652

COc1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
TRPV1 Q8NER1 1/20 0.59
POLB P06746 3/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
NLRP3 Q96P20 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
GRM4 Q14833 1/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL13561015 0.91 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2TRPV1
SCHEMBL13576512 0.90 KMT2A (0.79) MEN1KMT2AALDH1A1SMN1; SMN2TRPV1
SCHEMBL14148658 0.87 LMNA (0.76) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL14148621 0.85 ALDH1A1 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL14148651 0.81 KMT2A (0.57) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL16038025 0.79 ALDH1A1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL977661 0.78 CDC7 (0.70) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL14148629 0.77 KDR (0.60) MEN1KMT2AALDH1A1SMN1; SMN2TRPV1
SCHEMBL17317816 0.76 IRAK4 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL14148639 0.76 TSHR (0.61) MEN1KMT2AALDH1A1SMN1; SMN2TRPV1

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-2008090382-A1 THIAZOLE AND OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PRION DISEASES, CANCER AND CONDITIONS OF THE CENTRAL NERVOUS SYSTEM AS WELL AS IN THE REGULATION OF STEM CELLS THE UNIVERSITY OF SHEFFIELD (GB) 2008-07-31 WO disclosed