SCHEMBL20142201

SCHEMBL20142201

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PLA2G1B P04054 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.50
MAPK13 O15264 8/20 0.48
MAPK12 P53778 8/20 0.48
MAPK11 Q15759 8/20 0.48
MAPK14 Q16539 8/20 0.48
PRNP P04156 1/20 0.45

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
SCHEMBL20142149 0.88 NPC1 (0.61) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142254 0.88 NPC1 (0.60) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142454 0.86 RAB9A (0.63) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142837 0.86 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20141870 0.85 MAPK13 (0.47) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142389 0.84 NPC1 (0.47) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142456 0.83 NPC1 (0.47) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142847 0.82 NPC1 (0.59) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142262 0.82 NPC1 (0.59) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL20142442 0.81 MAPT (0.50) 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