SCHEMBL28286793

SCHEMBL28286793

Brc1ccc(N2CCOC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 3/20 0.49
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ALOX15 P16050 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 6/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 2/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPK1 P28482 3/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL1515927 0.89 AKR1C3 (0.65) AKR1C3MEN1KMT2AHSD17B10MGLL
SCHEMBL11531976 0.83 AKR1C3 (0.59) AKR1C3MEN1KMT2AHSD17B10MGLL
SCHEMBL29173466 0.82 AKR1C3 (0.57) AKR1C3MEN1KMT2AHSD17B10MGLL
SCHEMBL13370287 0.79 MAPT (0.50) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL17279013 0.79 CYP1A1 (0.64) AKR1C3MEN1KMT2AHSD17B10MGLL
SCHEMBL2218088 0.78 LMNA (0.75) AKR1C3MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11504798 0.78 ALDH1A1 (0.46) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL28242056 0.77 LMNA (0.46) AKR1C3MEN1KMT2AMGLLALDH1A1
SCHEMBL29259189 0.77 LMNA (0.79) AKR1C3MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL9093746 0.77 LMNA (0.71) MEN1KMT2AHSD17B10ALDH1A1KDM4E

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-109476669-A Lim kinase inhibitor 富荣吉有限责任公司 2019-03-15 CN disclosed