SCHEMBL20142149

SCHEMBL20142149

Cc1cc(N)ccc1Nc1ncc(C(=O)c2ccc(Cl)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.61
RAB9A P51151 11/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
KMT2A Q03164 3/20 0.61
HTT P42858 2/20 0.61
MEN1 O00255 2/20 0.61
LMNA P02545 1/20 0.61
PRNP P04156 1/20 0.59
MAPT P10636 4/20 0.58
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
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
MAPK14 Q16539 4/20 0.46

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
SCHEMBL20142454 0.89 RAB9A (0.63) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142262 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142847 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142254 0.89 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142201 0.88 RAB9A (0.52) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142456 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142071 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142508 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142180 0.85 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL20142442 0.84 MAPT (0.50) NPC1RAB9ASMN1; SMN2KMT2AHTT

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