SCHEMBL25845622

SCHEMBL25845622

CC(C)(C)c1ccc(-c2nc(Cl)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.49
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
LMNA P02545 2/20 0.43
KIF11 P52732 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL783069 0.93 RAB9A (0.60) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL12311644 0.91 RAB9A (0.58) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL13539895 0.91 RAB9A (0.62) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL12628221 0.91 RAB9A (0.62) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL19193784 0.89 RAB9A (0.60) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL12628248 0.89 RAB9A (0.60) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL13539886 0.89 RAB9A (0.60) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL12938318 0.89 RAB9A (0.60) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL19862786 0.89 RAB9A (0.60) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL19735244 0.89 RAB9A (0.60) RAB9ANPC1ABCG2TP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150991-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THREREOF 덕산네오룩스 주식회사 2024-07-18 WO disclosed
WO-2023134228-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-20 WO disclosed