SCHEMBL7694802

SCHEMBL7694802

CC(C)=COC1C(=O)Nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
IDO1 P14902 5/20 0.40
TDO2 P48775 3/20 0.39
GSK3B P49841 1/20 0.39
BRPF1 P55201 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL6952027 0.78 POLB (0.50) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL7072166 0.76 IDO1 (0.49) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL5275526 0.75 MAPT (0.51) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL6951615 0.71 IDO1 (0.41) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL6948710 0.71 MAPT (0.42) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL7072168 0.71 MAPT (0.36) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL20600322 0.70 IDO1 (0.50) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL29567273 0.70 IDO1 (0.50) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL87439 0.70 IDO1 (0.50) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL31735796 0.70 MAPT (0.47) MAPTALDH1A1L3MBTL1IDO1TDO2

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-2002038543-A2 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 WO disclosed