SCHEMBL29636874

SCHEMBL29636874

CNc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
HTT P42858 1/20 0.53
POLB P06746 2/20 0.51
GALR2 O43603 1/20 0.51
LMNA P02545 1/20 0.51
FGFR4 P22455 3/20 0.49
MERTK Q12866 1/20 0.48
TXNRD1 Q16881 4/20 0.43
GSR P00390 3/20 0.43
RPS6KB2 Q9UBS0 2/20 0.43
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PGK1 P00558 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1242494 1.00 MAPT (0.59) MAPTHTTPOLBGALR2LMNA
SCHEMBL27211667 0.81 MAPT (0.68) MAPTHTTPOLBFGFR4MERTK
SCHEMBL21522837 0.81 MAPT (0.55) MAPTHTTPOLBGALR2LMNA
SCHEMBL10697630 0.81 MAPT (0.55) MAPTHTTPOLBFGFR4MERTK
SCHEMBL5091991 0.81 MAPT (0.55) MAPTHTTPOLBFGFR4MERTK
SCHEMBL1978817 0.81 MAPT (0.67) MAPTHTTPOLBFGFR4MERTK
SCHEMBL30154422 0.81 MAPT (0.67) MAPTHTTPOLBFGFR4MERTK
SCHEMBL1431713 0.80 MAPT (0.54) MAPTHTTPOLBGALR2LMNA
SCHEMBL5099519 0.80 MAPT (0.61) MAPTHTTPOLBFGFR4MERTK
SCHEMBL28835842 0.79 MAPT (0.56) MAPTHTTPOLBGALR2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4228632-A2 REV-ERB AGONISTS Saint Louis University (US) 2023-08-23 EP disclosed
WO-2022093552-A9 REV-ERB AGONISTS Saint Louis Univeristy (US) 2022-06-23 WO disclosed
WO-2022093552-A2 REV-ERB AGONISTS Saint Louis Univeristy (US) 2022-05-05 WO disclosed