SCHEMBL5440544

SCHEMBL5440544

COc1ccc(Nc2c(C)ncc3sc(C)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
NPC1 O15118 7/20 0.52
ALDH1A1 P00352 3/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
KDM1A O60341 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
MAP2K1 Q02750 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5339148 0.73 DHFR (0.39) RAB9AKMT2AMEN1NPC1GAA
SCHEMBL5376106 0.65 ALDH1A1 (0.32) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL5315121 0.64 GAA (0.48) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL5311385 0.64 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL4265788 0.63 MEN1 (0.52) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL39057 0.63 MAPT (1.00) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL1459772 0.63 MAPT (1.00) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL23620233 0.62 MEN1 (0.65) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL7758813 0.62 RAB9A (0.85) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL13809404 0.62 ALDH1A1 (1.00) RAB9AKMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO disclosed
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed