SCHEMBL28240236

SCHEMBL28240236

S=CC1N(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
MDM2 Q00987 1/20 0.53
RORC P51449 7/20 0.51
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 1/20 0.42
DRD1 P21728 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL27840206 0.81 SIGMAR1 (0.47) TP53MDM2RORCSIGMAR1DRD2
SCHEMBL819498 0.80 TP53 (0.70) TP53MDM2RORCSIGMAR1LMNA
SCHEMBL2937254 0.77 SIGMAR1 (0.44) TP53MDM2RORCSIGMAR1
SCHEMBL2937252 0.77 SIGMAR1 (0.44) TP53MDM2RORCSIGMAR1
SCHEMBL7240008 0.76 SIGMAR1 (0.52) SIGMAR1DRD4LMNA
SCHEMBL27389960 0.74 MC4R (0.42) TP53MDM2RORCSIGMAR1LMNA
SCHEMBL28300821 0.74 DRD4 (0.42) TP53MDM2SIGMAR1DRD2DRD3
SCHEMBL24697142 0.73 GBA1 (0.49) TP53MDM2SIGMAR1
SCHEMBL2936024 0.73 TP53 (0.61) TP53MDM2SIGMAR1
SCHEMBL14124508 0.73 TP53 (0.60) TP53MDM2RORCSIGMAR1LMNA

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-108530662-A Decoration is the formed products of metallic 三菱制纸株式会社 2018-09-14 CN disclosed