SCHEMBL31472302

SCHEMBL31472302

Clc1cc(Br)ccc1C1COCCCN1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.33
PIM1 P11309 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
MAPT P10636 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30
PKM P14618 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
SCHEMBL21491362 1.00 CDC7 (0.33) CDC7PIM1CSNK2BCSNK2A1MAPT
SCHEMBL31472367 0.83 ESR1 (0.38)
SCHEMBL21491275 0.83 ESR1 (0.38)
SCHEMBL21491281 0.81 CYP11B2 (0.39) SLC6A2SLC6A4SLC6A3PRKACAPRKACG
SCHEMBL29456404 0.81 CYP11B2 (0.39) SLC6A2SLC6A4SLC6A3PRKACAPRKACG
SCHEMBL31472352 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PRKACAPRKACG
SCHEMBL21491118 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PRKACAPRKACG
SCHEMBL31472438 0.81 CYP11B2 (0.39) SLC6A2SLC6A4SLC6A3PRKACAPRKACG
SCHEMBL24313478 0.80
SCHEMBL22820431 0.80 CDC7 (0.31) CDC7PIM1CSNK2BCSNK2A1

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-112236428-B Antiproliferative compounds and uses thereof 默克专利股份有限公司 2025-04-01 CN disclosed