SCHEMBL7695366

SCHEMBL7695366

O=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 5/20 0.52
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NAMPT P43490 2/20 0.51
DGAT1 O75907 4/20 0.50
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 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
SCHEMBL7696391 0.91 MAPT (0.54) USP2KMT2AL3MBTL1MAPTTSHR
SCHEMBL7697612 0.91 L3MBTL1 (0.60) KMT2AL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL7695332 0.90 NPC1 (0.56) USP2KMT2AL3MBTL1MAPTTSHR
SCHEMBL7700066 0.88 NPC1 (0.58) KMT2AMAPTTSHRSMN1; SMN2TP53
SCHEMBL7703296 0.86 DGAT1 (0.51) USP2L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL7699160 0.85 SMN1; SMN2 (0.57) USP2KMT2AMAPTSMN1; SMN2TP53
SCHEMBL7698228 0.85 MAPT (0.56) L3MBTL1MAPTSMN1; SMN2TP53NPC1
SCHEMBL7699504 0.85 MAPT (0.55) KMT2AL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL7695065 0.84 NPC1 (0.55) KMT2AL3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL7697604 0.83 KDM4E (0.55) KMT2AL3MBTL1MAPTSMN1; SMN2TP53

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