SCHEMBL11364665

SCHEMBL11364665

O=C(O)CNc1csc(NC(=O)OCC(Cl)(Cl)Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.38
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 2/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9076268 0.86 MAPK1 (0.47) MAPTMAPK1TSHRNPC1RAB9A
SCHEMBL11036050 0.80 TSHR (0.49) MAPTMAPK1TSHRNPC1RAB9A
SCHEMBL4832512 0.79 MAPK1 (0.56) MAPK1TSHRNPC1RAB9AALDH1A1
SCHEMBL7278019 0.78 MAPT (0.39) PI4KBMAPTMAPK1TSHRNPC1
SCHEMBL7278026 0.78 MAPT (0.50) MAPTMAPK1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11411639 0.76 MAPK1 (0.48) MAPTMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL9074964 0.75 MAPT (0.42) MAPTMAPK1TSHRNPC1RAB9A
SCHEMBL3188023 0.75 ATAD2 (0.51) MAPTMAPK1TSHRNPC1RAB9A
SCHEMBL9075797 0.75 PDE5A (0.37) MAPTMAPK1TSHRNPC1RAB9A
Lotifazole SCHEMBL286772 0.75 ELOVL1 (0.56) MAPTMAPK1TSHRNPC1RAB9A

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
US-4298606-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-03 US disclosed