SCHEMBL7698157

SCHEMBL7698157

COc1cccc(C(=O)Nc2ccc(-c3oc(-c4ccccc4)nc3C(=O)Nc3ccccn3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPT P10636 9/20 0.52
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 3/20 0.51
THRB P10828 1/20 0.51
NPC1 O15118 2/20 0.51

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
SCHEMBL7693959 0.89 MAPT (0.52) HSD17B10TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL7701071 0.87 TSHR (0.63) HSD17B10TSHRALOX15MAPTKDM4E
SCHEMBL7700032 0.84 NPC1 (0.55) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL7697323 0.83 RAB9A (0.57) HSD17B10ALOX15MAPTKDM4ESMN1; SMN2
SCHEMBL7704827 0.82 NPC1 (0.55) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL7695399 0.81 KDM4E (0.51) HSD17B10TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL7705439 0.80 KDM4E (0.50) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL7698117 0.80 NPC1 (0.57) HSD17B10TSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8711039 0.79 F2 (0.72) TSHRSMN1; SMN2ALDH1A1NPSR1TP53
SCHEMBL7700066 0.78 NPC1 (0.58) HSD17B10TSHRALOX15MAPTKDM4E

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