SCHEMBL28298445

SCHEMBL28298445

Nc1ccc(C2CC3CCC2(c2ccc(N)cc2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 10/20 0.35
PGR P06401 1/20 0.35
NSD2 O96028 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
POLB P06746 1/20 0.30
TBXAS1 P24557 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
SCHEMBL28367697 0.91 ALDH1A1 (0.39) ALDH1A1LMNACYP19A1PGRPOLB
SCHEMBL2002653 0.83 ESR2 (0.42)
SCHEMBL790991 0.79 KDM1A (0.46)
SCHEMBL31316969 0.77 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1CYP19A1PGR
SCHEMBL675029 0.75 ESR2 (0.54) ALDH1A1LMNAL3MBTL1
SCHEMBL19359506 0.72 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1CYP19A1PGR
SCHEMBL28205290 0.70 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1CYP19A1PGR
SCHEMBL5085758 0.70 ESR2 (0.40)
SCHEMBL21409729 0.69 ALDH1A1 (0.67) ALDH1A1LMNAL3MBTL1CYP19A1PGR
SCHEMBL26344333 0.67 ALDH1A1 (0.41) ALDH1A1LMNAL3MBTL1CYP19A1PGR

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-109843533-A The manufacturing method of optical film 柯尼卡美能达株式会社 2019-06-04 CN disclosed