SCHEMBL29533985

SCHEMBL29533985

Clc1ccc2c(c1)sc1cccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MCL1 Q07820 2/20 0.39
BCKDK O14874 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 5/20 0.33
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GFER P55789 1/20 0.33
CMA1 P23946 1/20 0.32
PDPK1 O15530 1/20 0.32
TSHR P16473 1/20 0.32
SLC9A1 P19634 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL15989801 1.00 KDM4E (0.40) KDM4EMCL1BCKDKRXFP1MAPT
SCHEMBL23764989 0.87 PGR (0.36) KDM4EMAPTALDH1A1RAB9AHPGD
SCHEMBL29450779 0.86 KDM4E (0.51) KDM4EALDH1A1CMA1SLC9A1HDAC3
SCHEMBL24232362 0.86 KDM4E (0.51) KDM4EALDH1A1CMA1SLC9A1HDAC3
SCHEMBL23765156 0.85 PGR (0.38) KDM4ERAB9ANPC1LIMK1
SCHEMBL31512411 0.81 KDM4E (0.41) KDM4EMCL1BCKDKRXFP1MAPT
SCHEMBL26195840 0.81 KDM4E (0.41) KDM4EMCL1BCKDKRXFP1MAPT
SCHEMBL25057525 0.79 MCL1 (0.37) MCL1MAPTALDH1A1RAB9AHPGD
SCHEMBL21368352 0.79 ALDH1A1 (0.33) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL24343679 0.79 MAOA (0.37) MAPTALDH1A1RAB9AHPGDSMN1; 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
CN-119161352-A Amine compound and organic electroluminescent device containing same 阜阳欣奕华新材料科技股份有限公司 2024-12-20 CN disclosed
WO-2022075566-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2022-04-14 WO disclosed