SCHEMBL21883890

SCHEMBL21883890

CCc1cccc(Nc2c(C(C)C)cccc2C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.59
SIGMAR1 Q99720 5/20 0.52
IDO1 P14902 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
APP P05067 1/20 0.44
CYP1A2 P05177 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
SNCA P37840 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3628547 0.84 KMT2A (0.53) RAPGEF4MAPTMAPK1MEN1USP2
SCHEMBL8896899 0.80 RAPGEF4 (0.67) RAPGEF4SIGMAR1IDO1MAPTMAPK1
SCHEMBL5025966 0.76 LMNA (0.50) MAPTMAPK1MEN1USP2ALDH1A1
SCHEMBL27998900 0.76 KMT2A (0.46) RAPGEF4MAPTMAPK1MEN1USP2
SCHEMBL16497593 0.76 RAPGEF4 (0.57) RAPGEF4IDO1MAPTMAPK1MEN1
SCHEMBL2378671 0.76 HDAC6 (0.47) MAPTMAPK1MEN1USP2ALDH1A1
SCHEMBL22337576 0.75 RAPGEF4 (1.00) RAPGEF4IDO1
SCHEMBL4701514 0.74 RAPGEF4 (0.61) RAPGEF4SIGMAR1MAPTMAPK1MEN1
SCHEMBL21883889 0.73 MEN1 (0.63) RAPGEF4IDO1MAPTMAPK1MEN1
SCHEMBL812723 0.73 GABRA1 (0.52) MAPTMAPK1MEN1USP2ALDH1A1

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
WO-2020071798-A1 COMPOUND, COLORED RESIN COMPOSITION, COLOR FILTER, AND DISPLAY DEVICE 동우 화인켐 주식회사 2020-04-09 WO disclosed