SCHEMBL21883722

SCHEMBL21883722

COc1cccc(Nc2ccc(C)cc2C)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.67
GAA P10253 2/20 0.64
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 2/20 0.53
ACHE P22303 1/20 0.52
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
GFER P55789 1/20 0.50
DHODH Q02127 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL7003883 0.87 GAA (0.73) RAPGEF4GAAMEN1KMT2AMAPT
SCHEMBL21369667 0.85 GAA (0.56) RAPGEF4GAAMEN1KMT2AMAPT
SCHEMBL28446903 0.84 GAA (0.65) RAPGEF4GAAMEN1KMT2AMAPT
SCHEMBL18550734 0.83 GAA (0.63) RAPGEF4GAAMEN1KMT2AMAPT
SCHEMBL5608725 0.83 NPSR1 (0.59) RAPGEF4GAAMEN1KMT2AMAPT
SCHEMBL9629642 0.81 GAA (0.65) RAPGEF4GAAMEN1KMT2AMAPT
SCHEMBL4230288 0.81 GAA (0.64) RAPGEF4GAAMEN1KMT2AMAPT
SCHEMBL8686451 0.80 AKR1C3 (0.61) RAPGEF4GAAMEN1KMT2AMAPT
SCHEMBL20414142 0.80 RAPGEF4 (1.00) RAPGEF4MEN1KMT2AMAPTMAPK1
SCHEMBL9594435 0.80 AKR1C3 (0.73) GAAMEN1KMT2AMAPTMAPK1

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