SCHEMBL288943

SCHEMBL288943

CCCCOC(=O)NCc1cccc2scnc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT1 P42224 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TGFBR1 P36897 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP1 P29466 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ACHE P22303 7/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL4704457 0.89 L3MBTL1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7567608 0.78 CASP1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL288942 0.78 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17773307 0.76 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL11089043 0.73 HPGD (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6504884 0.72 FAAH (0.44) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3416627 0.72 RIPK1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7801637 0.72 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL764250 0.72 ALDH1A1 (0.41) RAB9AALDH1A1CASP1CCNE1CDK2
SCHEMBL20041560 0.72 RAB9A (0.46) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19

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
EP-2427451-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BioLab Corporation (JP) 2012-03-14 EP disclosed
WO-2010128685-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2010-11-11 WO disclosed