SCHEMBL13905660

SCHEMBL13905660

O=[SH](=O)c1cccc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.62
MEN1 O00255 17/20 0.60
KMT2A Q03164 15/20 0.57
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.48
NOD2 Q9HC29 1/20 0.48

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
SCHEMBL1604955 0.88 HTR2B (0.70) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1604148 0.86 HTR2B (0.70) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL13060028 0.86 MEN1 (0.66) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1605161 0.85 MEN1 (0.64) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1604829 0.84 MEN1 (0.61) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1604029 0.84 CNR1 (0.64) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1604933 0.84 HTR2B (0.65) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1604942 0.84 HTR2B (0.72) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1604957 0.84 HTR2B (0.60) HTR2BMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1604665 0.82 MEN1 (0.61) HTR2BMEN1KMT2AHTTSMN1; SMN2

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-2009032885-A2 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS FOR TREATING FIBROSIS EPIX DELAWARE, INC. (US) 2009-03-12 WO disclosed