SCHEMBL29654079

SCHEMBL29654079

Nc1nc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.71
KDM4E B2RXH2 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 6/20 0.56
RAB9A P51151 5/20 0.56
ALOX5 P09917 2/20 0.56
MPL P40238 3/20 0.52
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
POLB P06746 1/20 0.47

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
SCHEMBL474291 0.92 LTA4H (0.82) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL21479710 0.85 KDM4E (0.68) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL28708805 0.84 LTA4H (0.62) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL29654146 0.84 LTA4H (0.51) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL29653953 0.82 ALDH1A1 (0.83) LTA4HKDM4EMEN1KMT2AALDH1A1
SCHEMBL29654121 0.81 RAB9A (0.55) LTA4HKDM4EMEN1KMT2AALDH1A1
SCHEMBL21462074 0.79 KDM4E (0.68) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL21462073 0.79 KDM4E (0.61) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL28355353 0.79 KDM4E (0.68) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL15160564 0.78 KDM4E (0.71) LTA4HKDM4EMEN1KMT2ANPSR1

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
CN-114249702-A N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2022-03-29 CN disclosed