SCHEMBL22004286

SCHEMBL22004286

COC(=O)CNC(C)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
APAF1 O14727 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
GPR139 Q6DWJ6 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14281850 1.00 MEN1 (0.43) MEN1KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL13720968 0.86 ESR1 (0.45) POLBAPAF1LMNA
SCHEMBL14599046 0.86 ESR1 (0.45) POLBAPAF1LMNA
SCHEMBL1816436 0.85 ALDH1A1 (0.50) NPSR1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL2393457 0.85 ACACB (0.46) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL17265776 0.85 ACACB (0.46) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL12003862 0.85 ALDH1A1 (0.50) NPSR1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL14445760 0.85 POLB (0.54) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL6809830 0.84 APAF1 (0.57) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL2408159 0.84 APAF1 (0.57) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2

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
EP-2900278-B1 RADIOPHARMACEUTICAL PRODUCTS FOR DIAGNOSIS AND THERAPY OF ADRENAL CARCINOMA UNIV WUERZBURG J MAXIMILIANS (DE) 2020-05-20 EP disclosed