SCHEMBL28529485

SCHEMBL28529485

Nc1ccccc1C(=O)n1ccc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TSHR P16473 1/20 0.60
NOTUM Q6P988 1/20 0.54
NPC1 O15118 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.40
TFPI2 P48307 1/20 0.40
NPY4R P50391 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MET P08581 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL9654115 0.83 L3MBTL1 (0.69) RAB9AL3MBTL1TSHRNOTUMGAA
SCHEMBL28864285 0.80 TSHR (0.60) RAB9AL3MBTL1TSHRNOTUMGAA
SCHEMBL21777692 0.80 TSHR (0.60) RAB9AL3MBTL1TSHRNOTUMMAPT
SCHEMBL29494636 0.80 RAB9A (0.60) RAB9AL3MBTL1TSHRNOTUMGAA
SCHEMBL28921429 0.80 L3MBTL1 (0.60) RAB9AL3MBTL1TSHRNOTUMGAA
SCHEMBL28835530 0.80 TSHR (0.60) RAB9AL3MBTL1TSHRNOTUMGAA
SCHEMBL8447109 0.80 RAB9A (0.60) RAB9AL3MBTL1TSHRNOTUMGAA
SCHEMBL21438596 0.76 TSHR (0.55) RAB9AL3MBTL1TSHRNOTUMGAA
SCHEMBL9655173 0.76 L3MBTL1 (0.59) RAB9AL3MBTL1TSHRNOTUMGAA
SCHEMBL28244321 0.76 TSHR (0.55) RAB9AL3MBTL1TSHRNOTUMGAA

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
CN-107141296-B Synthesis method of tryptanthrin and derivatives thereof 常州大学 2021-03-02 CN disclosed