SCHEMBL28538675

SCHEMBL28538675

Cc1ccc(COc2ccc(Cn3cc(C=O)c4ccccc43)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
ALDH1A1 P00352 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
HTT P42858 3/20 0.62
KMT2A Q03164 4/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PTGS2 P35354 1/20 0.53
MEN1 O00255 3/20 0.53
TDP1 Q9NUW8 1/20 0.52
PARP1 P09874 1/20 0.52
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL8685900 0.93 ALDH1A1 (0.64) POLBALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL28910238 0.91 ALDH1A1 (0.62) POLBALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL28239241 0.89 ALDH1A1 (0.60) POLBALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL28542658 0.89 ALDH1A1 (0.79) POLBALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL28537086 0.89 SMN1; SMN2 (0.57) POLBALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL8758318 0.89 ALDH1A1 (0.76) POLBALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL28910240 0.87 LTB4R (0.56) POLBALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL28525408 0.86 ALDH1A1 (0.60) POLBALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL28908614 0.85 TP53 (0.54) POLBALDH1A1MAPTLMNAL3MBTL1
SCHEMBL797463 0.84 ALDH1A1 (0.69) POLBALDH1A1SMN1; SMN2HTTKMT2A

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-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN disclosed