SCHEMBL28565289

SCHEMBL28565289

CC1CCCN(C(=O)c2c(C(N)=O)ccc3ccccc23)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
RECQL P46063 1/20 0.47
MAPT P10636 3/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL28564684 0.95 MEN1 (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL28564670 0.82 HPGD (0.56) MAPTHPGDALDH1A1TP53GAA
SCHEMBL17907458 0.79 MEN1 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL10720887 0.75 RECQL (0.63) MEN1KMT2ACA12CA1CA2
SCHEMBL472267 0.72 RECQL (0.71) MEN1KMT2ACA12CA1CA2
SCHEMBL21163652 0.72 CA12 (0.59) MEN1KMT2ACA12CA1CA2
SCHEMBL6198935 0.71 RECQL (0.75) MEN1KMT2ACA12CA1CA2
SCHEMBL6198934 0.71 RECQL (0.75) MEN1KMT2ACA12CA1CA2
SCHEMBL18166095 0.71 RECQL (0.75) MEN1KMT2ACA12CA1CA2
Biphenyl SCHEMBL21812299 0.71 KMT2A (0.42) MEN1KMT2AHPGDALDH1A1TP53

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-108350270-B Polyamide resin composition and film 宇部兴产株式会社 2021-05-11 CN disclosed