SCHEMBL20142837

SCHEMBL20142837

Cc1cc(N(C)C)ccc1Nc1ncc(C(=O)c2cccc(Cl)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
PLA2G1B P04054 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 1/20 0.48
MAPK13 O15264 8/20 0.46
MAPK12 P53778 8/20 0.46
MAPK11 Q15759 8/20 0.46
MAPK14 Q16539 8/20 0.46
PRNP P04156 1/20 0.43

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
SCHEMBL20142180 0.89 NPC1 (0.59) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142842 0.89 NPC1 (0.58) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142201 0.86 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142095 0.85 MAPK13 (0.46) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142076 0.85 CYP2C19 (0.47) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142268 0.83 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142410 0.82 NPC1 (0.57) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142450 0.80 NPC1 (0.43) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142421 0.80 LCK (0.44) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142418 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2HTTMAPT

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-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO claimed
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO disclosed