SCHEMBL24329931

SCHEMBL24329931

CC/C=C(/N=C(\C)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
ESRRG P62508 1/20 0.40
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HDAC1 Q13547 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AGTR1 P30556 1/20 0.35
SRD5A2 P31213 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4833241 0.69 CA9 (0.55) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL4833231 0.69 CA9 (0.55) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL24000963 0.68 MAPT (0.59) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL21185486 0.67 HDAC1 (0.38) MAPTESRRGALDH1A1L3MBTL1LMNA
SCHEMBL10431913 0.66 ESRRG (0.42) MAPTESRRGALDH1A1LMNAEPHX2
SCHEMBL19300440 0.65 HDAC1 (0.42) MAPTALOX12ESRRGALDH1A1LMNA
SCHEMBL16437274 0.65 MAPT (0.47) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL7965283 0.64 LMNA (0.55) MAPTALOX12ESRRGALDH1A1LMNA
SCHEMBL17560964 0.63 FURIN (0.73) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL24451133 0.63 MAPT (0.46) MAPTALOX12ESRRGALDH1A1L3MBTL1

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
EP-3981762-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) 2022-04-13 EP disclosed