SCHEMBL9531007

SCHEMBL9531007

CCOC(=O)C(Cc1ccccc1)Nc1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
ELANE P08246 1/20 0.57
MAPK1 P28482 3/20 0.56
GAA P10253 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
CSNK1D P48730 3/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
STAT1 P42224 1/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL9009399 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ELANEMAPK1
Hydrochloric Acid SCHEMBL9009337 0.84 CSNK1D (0.56) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL1595124 0.83 ELANE (0.57) NPC1RAB9ASMN1; SMN2ELANEMAPK1
SCHEMBL6221979 0.80 ITGB1 (0.53) NPC1RAB9ASMN1; SMN2MAPK1NFKB1
SCHEMBL6286907 0.79 ELANE (0.46) NPC1RAB9ASMN1; SMN2ELANEMAPK1
SCHEMBL4458533 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL3144746 0.79 CSNK1D (0.50) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL27383879 0.78 ACP1 (0.46) NPC1RAB9ASMN1; SMN2ELANEMAPK1
SCHEMBL9009394 0.76 PTPN1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6958839 0.76 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2MAPK1MEN1

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
JP-5213911-A None JP disclosed
JP-H05213911-A LEUKOTRIENE BIOSYNTHESIS INHIBITOR BOEHRINGER INGELHEIM PHARMACEUT INC 1993-08-24 JP disclosed