SCHEMBL21301079

SCHEMBL21301079

CNc1nc(-c2ccc(OC)c(C(F)(F)F)c2)c(C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ CTSS P25774 3/20 0.40
▸ CTSK P43235 3/20 0.40
▸ ABCB1 P08183 2/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ RORB Q92753 1/20 0.37

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
SCHEMBL21300918 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPKMMEN1
SCHEMBL21300945 0.78 KMO (0.49) ALDH1A1MAPTKDM4ES1PR1CTSS
SCHEMBL21300992 0.76 AR (0.52) ALDH1A1MAPTKDM4EPKMCTSS
SCHEMBL21301065 0.75 KMO (0.41) MPLALDH1A1MAPTKDM4ES1PR1
SCHEMBL21301089 0.75 ACHE (0.42) MPLMAPTS1PR1
SCHEMBL18724169 0.75 MAPT (0.39) MAPTS1PR1CTSSSMN1; SMN2
SCHEMBL21301076 0.74 MAPT (0.43) ALDH1A1MAPTKDM4ES1PR1KMT2A
SCHEMBL18724210 0.73 MAPK1 (0.42) MPLALDH1A1MAPTS1PR1CTSS
SCHEMBL21301171 0.72 KMO (0.40) MPLS1PR1CTSSMEN1KMT2A
SCHEMBL18691883 0.69 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ES1PR1MEN1

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
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
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