SCHEMBL28430320

SCHEMBL28430320

CC1=NC(C)(c2ccccc2)N=C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PAX8 Q06710 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
HPGD P15428 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
REN P00797 1/20 0.30
APP P05067 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL28811963 0.76 ALDH1A1 (0.33) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL1068049 0.73 OPRM1 (0.32) OPRM1OPRK1OPRL1
SCHEMBL9013702 0.70 LMNA (0.38) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL2595557 0.69 LMNA (0.41) BACE1ALDH1A1LMNAGAAPAX8
Hydrochloric Acid SCHEMBL2461990 0.69 ALDH1A1 (0.37) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL11245064 0.66 LMNA (0.38) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL5276695 0.66 ALDH1A1 (0.38) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL3504486 0.62 BACE1 (0.33) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL16877128 0.62
SCHEMBL1148182 0.56 MMP2 (0.41) BACE1ALDH1A1LMNAGAAPAX8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113966354-A Curable composition, cured product, and adhesive DIC株式会社 2022-01-21 CN disclosed
CN-113661192-A Curable composition, cured product, fiber-reinforced composite material, molded article, and method for producing same DIC株式会社 2021-11-16 CN disclosed
CN-111295408-A Curable composition and fiber-reinforced composite material DIC株式会社 2020-06-16 CN disclosed