SCHEMBL29985200

SCHEMBL29985200

CC(C(N)=O)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.37
F2R P25116 1/20 0.37
IDH1 O75874 6/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CACNA1A O00555 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNB1 Q02641 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 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
SCHEMBL4941317 0.89 NPC1 (0.41) NPC1RAB9APOLBLMNAF2R
SCHEMBL27530774 0.86 NPC1 (0.39) NPC1RAB9APOLBLMNAF2R
SCHEMBL29555349 0.86 NPC1 (0.39) NPC1RAB9APOLBLMNAF2R
SCHEMBL9467984 0.85 NPC1 (0.46) NPC1RAB9APOLBLMNAF2R
SCHEMBL28940118 0.84 NPC1 (0.40) NPC1RAB9APOLBLMNAF2R
SCHEMBL7156726 0.82 NPC1 (0.36) NPC1RAB9APOLBLMNAF2R
SCHEMBL132431 0.81 CACNA1A (0.40) NPC1RAB9APOLBLMNAF2R
SCHEMBL27170339 0.81 CACNA1A (0.43) NPC1RAB9APOLBLMNAF2R
SCHEMBL3830756 0.81 NPC1 (0.45) NPC1RAB9APOLBLMNAF2R
SCHEMBL30963008 0.79 ALDH1A1 (0.36) NPC1RAB9ALMNAF2RIDH1

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-114867715-A Adhesive photoprotective compounds and uses thereof 斯奇诺西维 2022-08-05 CN claimed
CN-114867715-A Adhesive photoprotective compounds and uses thereof 斯奇诺西维 2022-08-05 CN disclosed