SCHEMBL29198545

SCHEMBL29198545

Nc1cccc(Br)c1CSc1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
HSP90AA1 P07900 1/20 0.35
KCNH2 Q12809 1/20 0.35
NR1H2 P55055 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HDAC3 O15379 1/20 0.32
NCOR1 O75376 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 2/20 0.31
CA4 P22748 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL29198549 0.76 ALOX15 (0.42) CA2KMT2AMEN1ALOX15TSHR
SCHEMBL1372190 0.69 GABRA1 (0.35) CA2ALOX15TSHRSMN1; SMN2CA1
SCHEMBL1398159 0.67 TAAR1 (0.37) ALOX15TSHRSMN1; SMN2ALDH1A1
SCHEMBL14253791 0.67 CYP3A4 (0.36) ALOX15TSHRSMN1; SMN2ALDH1A1
SCHEMBL30937520 0.67 TAAR1 (0.37) ALOX15TSHRSMN1; SMN2ALDH1A1
SCHEMBL20600227 0.66 TDP1 (0.33) CA2ALOX15TSHRSMN1; SMN2HTT
SCHEMBL29037467 0.65 CYP3A4 (0.35) ALOX15TSHRSMN1; SMN2ALDH1A1
SCHEMBL6204770 0.65 GABRA1 (0.39) ALOX15TSHRSMN1; SMN2ALDH1A1
SCHEMBL12522062 0.65 ABAT (0.64) CA2NR1H2KMT2AMEN1ABAT
SCHEMBL18185020 0.65 IDO1 (0.35) KMT2AMEN1TSHRHTTNPSR1

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
CN-114014851-B Fluorene azole structural compound and application thereof 北京燕化集联光电技术有限公司 2024-02-27 CN disclosed