SCHEMBL27897553

SCHEMBL27897553

NC(=S)NNc1cc(Cl)cc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 1.00
MAPT P10636 7/20 1.00
ALDH1A1 P00352 7/20 1.00
LMNA P02545 1/20 1.00
ALOX12 P18054 1/20 1.00
GLA P06280 1/20 0.58
IDO1 P14902 1/20 0.48
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9690067 0.80 GAA (1.00) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL7043304 0.78 GAA (0.64) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL4324931 0.77 ALDH1A1 (0.63) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL27789604 0.74 GAA (0.72) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL667827 0.74 CA2 (0.67) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL238488 0.74 GAA (1.00) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL4858206 0.72 TSHR (0.57) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL12847204 0.69 GAA (0.52) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL28916359 0.68 CA2 (0.60) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL163118 0.68 ALDH1A1 (0.61) GAAMAPTALDH1A1LMNAALOX12

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
CN-102977014-B New quinoline compounds and uses thereof UNIV SHENYANG PHARMACEUTICAL 2015-01-07 CN disclosed
CN-102977014-A New quinoline compounds and uses thereof UNIV SHENYANG PHARMACEUTICAL 2013-03-20 CN disclosed