SCHEMBL5334384

SCHEMBL5334384

CCOc1ccc(OCC)c(Nc2nccc3sccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 3/20 0.39
EPHX1 P07099 1/20 0.39
EGFR P00533 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TNNI3K Q59H18 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
NPC1 O15118 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
SCHEMBL5314760 0.83 MEN1 (0.57) MAPTHPGDMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL5369271 0.82 MEN1 (0.56) MAPTSMN1; SMN2HPGDMAPK1MEN1
SCHEMBL5317673 0.79 TSHR (0.42) MAPTSMN1; SMN2HPGDTSHRMAPK1
SCHEMBL5311203 0.75 EGFR (0.45) MAPTSMN1; SMN2HPGDTSHRMAPK1
SCHEMBL5334156 0.75 MEN1 (0.46) MAPTHPGDMEN1KMT2AHTT
SCHEMBL5378756 0.75 MEN1 (0.47) MAPTSMN1; SMN2HPGDTSHRMAPK1
SCHEMBL11523980 0.70 EPHX1 (0.54) SMN1; SMN2HPGDTSHRMAPK1MEN1
SCHEMBL5331600 0.69 EPAS1 (0.52) MEN1KMT2ATP53EGFRNPC1
SCHEMBL3794771 0.69 MEN1 (0.57) SMN1; SMN2MAPK1MEN1KMT2AHTT
SCHEMBL5335403 0.68 NPC1 (0.46) MEN1KMT2AEGFRNPC1RAB9A

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
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO claimed