SCHEMBL4943674

SCHEMBL4943674

Cc1c(-c2csc(-c3ccc(F)c(Nc4ccccc4)c3)n2)ccc2c1NC(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.44
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
NR3C2 P08235 2/20 0.43
POLB P06746 1/20 0.42
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.37
ACLY P53396 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAP4K1 Q92918 1/20 0.35
GNRHR P30968 1/20 0.34
EIF4E P06730 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4262046 0.84 POLB (0.46) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4260398 0.83 NR3C2 (0.56) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4264485 0.82 NR3C2 (0.49) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4258380 0.81 POLB (0.51) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4261043 0.80 POLB (0.49) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4266185 0.79 RAB9A (0.50) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4266653 0.78 POLB (0.48) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4263181 0.78 NR3C2 (0.55) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4261993 0.77 NR3C2 (0.46) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL4258381 0.76 NR3C2 (0.47) MAPTALDH1A1SMN1; SMN2KMT2AMAPK1

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
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed