SCHEMBL4803883

SCHEMBL4803883

COCc1nc(C(=O)O)cn1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
RET P07949 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
S1PR1 P21453 6/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KAT6A Q92794 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32

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
SCHEMBL1268994 0.77 WDR5 (0.36) HCAR2HSD17B10GAAKDM4EALDH1A1
SCHEMBL30707793 0.68 GABRA2 (0.46) HCAR2KDM4EALDH1A1L3MBTL1
SCHEMBL773059 0.66 S1PR1 (0.53) RETS1PR1ALDH1A1TP53
SCHEMBL18040239 0.65 RXFP1 (0.37) HCAR2HSD17B10GAAKDM4EALDH1A1
SCHEMBL4026141 0.63 MAPK1 (0.35) RETGAAKDM4EALDH1A1
SCHEMBL6529330 0.61 MEN1 (0.36) HSD17B10GAA
SCHEMBL771719 0.61 S1PR1 (0.48) S1PR1KDM4EALDH1A1TP53
SCHEMBL2327699 0.61 CPB2 (0.47) HSD17B10GAAKDM4EL3MBTL1
SCHEMBL28440995 0.61 KMO (0.42) HSD17B10GAAKDM4EL3MBTL1
SCHEMBL6529327 0.60 MEN1 (0.36) ALDH1A1TP53

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed