SCHEMBL7936218

SCHEMBL7936218

NCc1nc(C2=NCCS2)cs1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL21480779 0.74 ALDH1A1 (0.38) ALDH1A1RAB9AMAPTLMNAGAA
SCHEMBL21664133 0.68 HDAC3 (0.34)
SCHEMBL21664082 0.67 HDAC3 (0.33)
SCHEMBL21663828 0.67 HDAC3 (0.33)
SCHEMBL23241641 0.64
SCHEMBL21689149 0.63 NOS3 (0.39) LMNANOS3NOS1NOS2
SCHEMBL14672195 0.62 ALDH1A1 (0.62) LOXL2TAAR1ALDH1A1RAB9AMEN1
SCHEMBL21812776 0.62 RAB9A (0.66) LOXL2TAAR1ALDH1A1RAB9AMEN1
SCHEMBL16217968 0.62 RAB9A (0.65) LOXL2TAAR1ALDH1A1RAB9AMEN1
SCHEMBL16217967 0.62 ALDH1A1 (0.65) LOXL2TAAR1ALDH1A1RAB9AMEN1

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-2010009334-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-01-21 WO disclosed