SCHEMBL10404196

SCHEMBL10404196

O=CC(=O)CSc1nc2ccccc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.73
APEX1 P27695 1/20 0.73
RECQL P46063 1/20 0.73
MAPT P10636 3/20 0.69
ALOX5 P09917 2/20 0.63
ALDH1A1 P00352 6/20 0.60
HPGD P15428 5/20 0.60
CYP1A2 P05177 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 3/20 0.59
HSD17B10 Q99714 3/20 0.59
CYP2D6 P10635 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
TSHR P16473 1/20 0.59
HIF1A Q16665 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
PKM P14618 1/20 0.57

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
SCHEMBL10404170 0.87 POLB (0.71) POLBAPEX1RECQLMAPTALOX5
SCHEMBL1286369 0.83 POLB (0.79) POLBAPEX1RECQLMAPTALOX5
SCHEMBL5401249 0.82 POLB (0.77) POLBAPEX1RECQLMAPTALOX5
SCHEMBL2261407 0.82 POLB (0.77) POLBAPEX1RECQLMAPTALOX5
SCHEMBL13629728 0.82 MAPT (1.00) POLBAPEX1RECQLMAPTALOX5
SCHEMBL10759553 0.81 POLB (0.75) POLBAPEX1RECQLMAPTALOX5
SCHEMBL13461102 0.79 POLB (0.83) POLBAPEX1RECQLMAPTALOX5
SCHEMBL10404194 0.79 POLB (0.73) POLBAPEX1RECQLMAPTALOX5
SCHEMBL13768047 0.78 CYP1A2 (0.67) POLBAPEX1RECQLMAPTALOX5
SCHEMBL10759434 0.78 ALDH1A1 (0.74) POLBAPEX1RECQLMAPTALOX5

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed