SCHEMBL8411178

SCHEMBL8411178

O=CC1(Br)C=CC(c2cccs2)S1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL15525622 0.81 ALDH1A1 (0.33) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL2788715 0.78 MEN1 (0.33) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL7062683 0.78 LMNA (0.32) MEN1ALDH1A1KMT2AMAPT
SCHEMBL668173 0.69 MEN1 (0.34) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL15568368 0.68 MEN1 (0.33) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL3373110 0.68 MEN1 (0.33) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7062104 0.68 ALDH1A1 (0.35) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL19436423 0.68 ALDH1A1 (0.34) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL7062638 0.65 BRD4 (0.37) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL3067513 0.63 ALDH1A1 (0.39) MEN1ALDH1A1KMT2AMAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994394-A Polyheterocyclic compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1999-11-30 US disclosed
EP-0866066-A1 Polyheterocyclic compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-09-23 EP disclosed