SCHEMBL28309142

SCHEMBL28309142

Cc1ccc(Nc2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
HTT P42858 2/20 0.57
CALM1 P0DP23 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
Diphenylmethane SCHEMBL10780055 0.98 HPGD (0.71) HPGDHTTCALM1NPC1RAB9A
SCHEMBL284700 0.89 CALM1 (0.63) HPGDHTTCALM1TDP1HSD17B10
SCHEMBL19187359 0.87 ALDH1A1 (0.65) HPGDHTTCALM1TDP1HSD17B10
SCHEMBL25557237 0.87 ALDH1A1 (0.65) HPGDHTTCALM1TDP1HSD17B10
SCHEMBL20367165 0.87 MEN1 (0.56) HPGDHTTALDH1A1L3MBTL1GAA
SCHEMBL2140291 0.87 CALM1 (0.67) HTTCALM1NPC1RAB9ATDP1
SCHEMBL275839 0.87 CALM1 (0.67) HTTCALM1NPC1RAB9ATDP1
SCHEMBL13573418 0.85 HPGD (0.52) HPGDHTTNPC1RAB9ATDP1
Ethane SCHEMBL7512728 0.84 CALM1 (0.63) HTTCALM1NPC1RAB9ATDP1
SCHEMBL13308523 0.84 ALDH1A1 (0.68) HPGDHTTCALM1TDP1HSD17B10

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-110128319-A Synthesis method and application of 3-carbonyl indoline fluorescent molecule 南京工业大学 2019-08-16 CN disclosed