SCHEMBL27374348

SCHEMBL27374348

COc1ccc(N(c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALOX5 P09917 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
ESR2 Q92731 1/20 0.39
CASR P41180 1/20 0.39

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
SCHEMBL13338546 0.95 MAPT (0.47) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL10057795 0.83 MAPT (0.49) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL23866680 0.83 MAPT (0.49) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL13338375 0.82 SLC2A1 (0.55) MAPTALDH1A1MAPK1TDP1RECQL
SCHEMBL2608411 0.82 MAPT (0.58) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL13338370 0.82 TSHR (0.44) ALDH1A1LMNAHSD17B10TP53L3MBTL1
SCHEMBL13338684 0.81 BACE1 (0.49) ALDH1A1TDP1LMNASMN1; SMN2SLC2A1
SCHEMBL13338533 0.81 PTGES (0.44) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL18627702 0.81 PTGES (0.44) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL21999768 0.81 CA4 (0.45) MAPTALDH1A1TDP1LMNATP53

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-2024048692-A1 LIGHT-EMITTING LAYER MATERIAL, ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT, ORGANIC EL DISPLAY DEVICE, ORGANIC EL LIGHTING, COMPOSITION, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT 三菱ケミカル株式会社 2024-03-07 WO disclosed