SCHEMBL29101366

SCHEMBL29101366

COc1nnnc(-c2ccccc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
LMNA P02545 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL27852651 0.88 LMNA (0.48) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL27636178 0.79 SOAT1 (0.50) LMNAALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL27875105 0.79 SOAT1 (0.50) LMNAALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL28387632 0.76 ALDH1A1 (0.39) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL11778560 0.73 ADORA2A (0.50) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
SCHEMBL28975049 0.73 BACE1 (0.47) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL28138093 0.69 ALOX15 (0.61) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL16232472 0.69 SMN1; SMN2 (0.58) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL13114122 0.68 NPC1 (0.52) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL27956430 0.68 ALDH1A1 (0.69) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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-116725903-A Cosmetic base, cosmetic comprising same, and water-in-oil type sunscreen cosmetic 日油株式会社 2023-09-12 CN disclosed