SCHEMBL28409121

SCHEMBL28409121

COc1ccc2ccn(C(C)=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.55
MTNR1B P49286 6/20 0.55
NOTUM Q6P988 1/20 0.54
TFPI2 P48307 1/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TUBB1 Q9H4B7 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FABP4 P15090 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR6 P50406 1/20 0.46
MAPT P10636 2/20 0.45
MCL1 Q07820 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL31316141 0.87 TUBB1 (0.62) MTNR1AMTNR1BNOTUMTFPI2KDM4E
SCHEMBL5569918 0.87 TFPI2 (0.57) MTNR1AMTNR1BTFPI2KDM4EALDH1A1
SCHEMBL30297606 0.87 TFPI2 (0.57) MTNR1AMTNR1BTFPI2KDM4EALDH1A1
SCHEMBL28550833 0.87 TUBB1 (0.62) MTNR1AMTNR1BNOTUMTFPI2KDM4E
SCHEMBL28661147 0.84 TFPI2 (0.52) MTNR1AMTNR1BTFPI2KDM4EALDH1A1
SCHEMBL24110616 0.82 HTR2A (0.53) MTNR1AMTNR1BTFPI2KDM4EALDH1A1
SCHEMBL2117429 0.81 MTNR1A (0.51) MTNR1AMTNR1BTFPI2KDM4EALDH1A1
SCHEMBL20905149 0.81 TFPI2 (0.50) MTNR1AMTNR1BTFPI2KDM4ETUBB1
SCHEMBL982760 0.80 TFPI2 (0.49) MTNR1AMTNR1BTFPI2KDM4EALDH1A1
SCHEMBL24109905 0.78 TFPI2 (0.47) MTNR1AMTNR1BTFPI2TUBB1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170924-B Method for electrochemically synthesizing hexafluoroisopropoxyindole compound 广西师范大学 2023-06-30 CN disclosed
CN-111170924-A Method for electrochemically synthesizing hexafluoroisopropoxy indole compound 广西师范大学 2020-05-19 CN disclosed