SCHEMBL28587666

SCHEMBL28587666

Cc1cc(C)c2c(c1)C(=[N+]=[N-])C(=O)N2C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 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
SCHEMBL25327651 0.78 ALDH1A1 (0.63) ALDH1A1MEN1POLBKMT2AMAPT
SCHEMBL28587504 0.73 CA1 (0.43) ALDH1A1MEN1POLBKMT2AMAPT
SCHEMBL28370186 0.73 MAPT (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL28596272 0.66 MEN1 (0.40) ALDH1A1MEN1POLBKMT2A
SCHEMBL28593612 0.66 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2A
SCHEMBL9748745 0.65
SCHEMBL32679653 0.64 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2AMAPT
SCHEMBL28414581 0.63 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AMAPT
SCHEMBL25920572 0.63 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AMAPT
SCHEMBL28581855 0.62 CA2 (0.44) ALDH1A1

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-111961060-B Preparation method of spiroheterocyclic 2, 3-dihydrobenzofuran compound with optical activity 遵义医科大学 2021-07-06 CN disclosed
CN-111961060-A Preparation method of spiroheterocyclic 2, 3-dihydrobenzofuran compound with optical activity 遵义医科大学 2020-11-20 CN disclosed