SCHEMBL19867073

SCHEMBL19867073

CC(C)n1cc2cccc(C(O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
TGFBR1 P36897 11/20 0.42
MAPT P10636 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
KDM1A O60341 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16827166 0.84 KDM4E (0.56) KDM4EPKM
SCHEMBL19867111 0.81 HTR4 (0.38)
SCHEMBL16827187 0.71 HTR4 (0.43) KDM4EPKM
SCHEMBL13059914 0.71 KDM4E (0.56) KDM4EPKMTGFBR1MAPTGPR119
SCHEMBL16827070 0.71 IL1B (0.45) HTT
SCHEMBL16827093 0.70 HDAC8 (0.46) GPR119
SCHEMBL24201559 0.69 KDM4E (0.42) KDM4EPKMMAPTGPR119NPC1
SCHEMBL8206262 0.69 KDM4E (0.64) KDM4EPKMTGFBR1GPR119KDM1A
SCHEMBL18171071 0.68 HTR4 (0.58)
SCHEMBL6980865 0.67 KDM4E (0.61) KDM4EPKMGPR119

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
EP-3099675-B1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-02-14 EP disclosed