SCHEMBL24524553

SCHEMBL24524553

N#Cc1cc(Br)cc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CASP1 P29466 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
SCHEMBL24524513 0.96 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL30054908 0.78 KDM4E (0.41) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL30047273 0.72 SMN1; SMN2 (0.40) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL30106771 0.72 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL13451350 0.71 PARP1 (0.33) ALDH1A1MAPTHSD17B10ALOX15LMNA
SCHEMBL29386169 0.71 BCL2L1 (0.47) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL19679240 0.71 BCL2L1 (0.47) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL6228564 0.71 MEN1 (0.45) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL3345163 0.69 PARP10 (0.39) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL24373453 0.69 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1MAPT

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-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 — — WO disclosed
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