SCHEMBL7701952

SCHEMBL7701952

O=C(CCc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.47
DGAT1 O75907 5/20 0.46
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 2/20 0.43
JAK3 P52333 1/20 0.43
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.43
CETP P11597 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
SCHEMBL7701794 0.91 SMN1; SMN2 (0.53) MAPTSMN1; SMN2NPC1L3MBTL1DGAT1
SCHEMBL7695331 0.90 USP2 (0.57) MAPTSMN1; SMN2NPC1L3MBTL1USP2
SCHEMBL7701316 0.86 DGAT1 (0.49) MAPTSMN1; SMN2L3MBTL1USP2DGAT1
SCHEMBL7699897 0.86 L3MBTL1 (0.51) MAPTSMN1; SMN2L3MBTL1USP2DGAT1
SCHEMBL7701960 0.86 DGAT1 (0.52) MAPTSMN1; SMN2L3MBTL1DGAT1KMT2A
SCHEMBL7699467 0.86 ALDH1A1 (0.52) MAPTSMN1; SMN2NPC1L3MBTL1USP2
SCHEMBL7701067 0.85 L3MBTL1 (0.52) MAPTSMN1; SMN2L3MBTL1USP2DGAT1
SCHEMBL7697962 0.85 L3MBTL1 (0.56) MAPTSMN1; SMN2NPC1L3MBTL1DGAT1
SCHEMBL7694001 0.85 MAPT (0.58) MAPTSMN1; SMN2NPC1L3MBTL1DGAT1
SCHEMBL7696391 0.84 MAPT (0.54) MAPTSMN1; SMN2NPC1L3MBTL1USP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed