SCHEMBL31472389

SCHEMBL31472389

COc1ccc(C2CCCCCN2)c(OC)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.89
KMT2A Q03164 3/20 0.89
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CA2 P00918 3/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP3A4 P08684 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41

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
SCHEMBL21491464 1.00 MEN1 (0.89) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL3328962 0.94 MEN1 (1.00) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL21516972 0.88 MEN1 (0.69) MEN1KMT2ACA2CA12CA1
SCHEMBL29456488 0.88 MEN1 (0.69) MEN1KMT2ACA2CA12CA1
SCHEMBL31518263 0.82 MEN1 (0.78) MEN1KMT2ACA2CA12CA1
SCHEMBL28905133 0.80 MEN1 (0.74) MEN1KMT2AALDH1A1CYP1A2CYP2A6
SCHEMBL21491462 0.80 KMT2A (0.58) MEN1KMT2AALDH1A1CA2CA1
SCHEMBL31472416 0.80 KMT2A (0.58) MEN1KMT2AALDH1A1CA2CA1
SCHEMBL31136940 0.79 MEN1 (0.60) MEN1KMT2ASLC6A2SLC6A4
SCHEMBL16610538 0.79 MEN1 (0.73) MEN1KMT2A

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