SCHEMBL7697462

SCHEMBL7697462

COc1ccccc1C(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
TP53 P04637 3/20 0.59
THRB P10828 2/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 4/20 0.57
RAB9A P51151 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NPC1 O15118 2/20 0.57
KMT2A Q03164 3/20 0.50
LCLAT1 Q6UWP7 1/20 0.49
SMO Q99835 1/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
MEN1 O00255 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
SCHEMBL7696209 0.86 KDM4E (0.55) MAPTTP53THRBALDH1A1KDM4E
SCHEMBL7695770 0.84 MAPT (0.58) MAPTTP53THRBALDH1A1KDM4E
SCHEMBL7704976 0.83 MAPT (0.61) MAPTTP53THRBALDH1A1KDM4E
SCHEMBL7698148 0.81 PTGES (0.49) MAPTTP53THRBALDH1A1KDM4E
SCHEMBL7701897 0.81 KDM4E (0.55) MAPTALDH1A1KDM4ERAB9AHPGD
SCHEMBL7693588 0.81 KDM4E (0.65) MAPTTP53ALDH1A1KDM4ERAB9A
SCHEMBL7701071 0.81 TSHR (0.63) MAPTTP53THRBALDH1A1KDM4E
SCHEMBL7698787 0.79 KDM4E (0.58) MAPTTP53ALDH1A1KDM4ERAB9A
SCHEMBL7698683 0.79 MAPT (0.52) MAPTTP53ALDH1A1KDM4ERAB9A
SCHEMBL7695319 0.79 MAPT (0.57) MAPTTP53ALDH1A1KDM4ERAB9A

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