SCHEMBL20051845

SCHEMBL20051845

Cc1c(C)c(-c2ccccc2)c(C)c(C)c1B(c1ccc(-c2ccccc2)cc1)c1c(C)c(C)c(-c2ccccc2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MGLL Q99685 1/20 0.42
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
WDR5 P61964 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPV1 Q8NER1 1/20 0.33
CHEK1 O14757 1/20 0.32
AKT2 P31751 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
CYP1A2 P05177 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL10100965 1.00 CA1 (0.42) CA1CA2MGLLMAPTSMN1; SMN2
SCHEMBL17249483 0.98 CA1 (0.41) CA1CA2MGLLMAPTSMN1; SMN2
SCHEMBL1309596 0.90 ALDH1A1 (0.39) CA1CA2MGLLMAPTSMN1; SMN2
SCHEMBL1311706 0.86 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1CHEK1AKT2
SCHEMBL1309858 0.78 PTGS1 (0.38) CA1CA2MGLLMAPTSMN1; SMN2
SCHEMBL9701635 0.76 LMNA (0.50) MAPTALDH1A1CHEK1AKT2BRD4
SCHEMBL8618279 0.73 LMNA (0.48) MAPTALDH1A1CHEK1AKT2BRD4
SCHEMBL16919803 0.73 HPGD (0.33) MAPTALDH1A1CHEK1AKT2BRD4
SCHEMBL13777172 0.72 RPA1 (0.38) CA1CA2MGLLALDH1A1CYP1A2
SCHEMBL12110557 0.72 ESR2 (0.40) MAPTALDH1A1L3MBTL1LMNAPTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944629-B2 Material for organic electroluminescent element, organic electroluminescent element, illumination device, and display device Konica Minolta, Inc. (JP) 2018-04-17 US disclosed
US-9944629-B2 Material for organic electroluminescent element, organic electroluminescent element, illumination device, and display device Konica Minolta, Inc. (JP) 2018-04-17 US disclosed