SCHEMBL24727156

SCHEMBL24727156

C[C@H]1C=CC=C(c2cccc(-c3nc(Cl)nc(-c4ccccc4)n3)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
L3MBTL1 Q9Y468 5/20 0.34
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
HPGD P15428 5/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 5/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
NR1I3 Q14994 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
IDH1 O75874 1/20 0.30
MAPK1 P28482 2/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL19114637 0.90 L3MBTL1 (0.38) LMNAL3MBTL1MEN1KMT2AHPGD
SCHEMBL17345807 0.78 NR1H2 (0.49) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL21982348 0.76 ABL1 (0.33) L3MBTL1
SCHEMBL16855484 0.76
SCHEMBL24279825 0.76 MAOA (0.32) L3MBTL1MEN1KMT2AHPGDALDH1A1
SCHEMBL17379751 0.75 MEN1 (0.36) LMNAL3MBTL1MEN1KMT2AHPGD
SCHEMBL22930600 0.74 KMT2A (0.38) L3MBTL1MEN1KMT2AHPGDALDH1A1
SCHEMBL23050672 0.74 BRD4 (0.32)
SCHEMBL17244363 0.73 KMO (0.34) MEN1KMT2AHPGDSMN1; SMN2TDP1
SCHEMBL20560892 0.73 MEN1 (0.50) LMNAL3MBTL1MEN1KMT2AHPGD

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-4074706-A1 DEUTERATED HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG Display Co., Ltd. (KR) 2022-10-19 EP disclosed