SCHEMBL28838261

SCHEMBL28838261

c1ccc(Cc2cc(-c3ccccc3)c3ccc4c(Cc5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CALM1 P0DP23 1/20 0.39
HSD17B3 P37058 1/20 0.39
PTPN1 P18031 2/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL260886 0.77 BACE1 (0.48) BCL2L1HSD17B3ALOX5MEN1KMT2A
SCHEMBL9748771 0.76 PTPN1 (0.51) BCL2BCL2L1PTPN1
SCHEMBL4584768 0.75 BACE1 (0.46) BCL2L1HSD17B3ALOX5MEN1KMT2A
SCHEMBL3419780 0.73 ALDH1A1 (0.45) BCL2L1HSD17B3ALOX5MEN1KMT2A
SCHEMBL1003359 0.73 ALDH1A1 (0.45) BCL2L1HSD17B3ALOX5MEN1KMT2A
SCHEMBL28365750 0.73 BCL2 (0.45) BCL2BCL2L1CALM1HSD17B3ALOX5
SCHEMBL28895936 0.73 MAPK8 (0.40) BCL2BCL2L1
SCHEMBL9749576 0.73 CNR2 (0.44) CYP11B1CYP11B2
SCHEMBL20403621 0.72 CRHR1 (0.41) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL9786570 0.71 HSD17B3 (0.40) BCL2BCL2L1CALM1HSD17B3ALOX5

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
CN-108349890-B Organic functional compound for preparing organic electronic device and application thereof 广州华睿光电材料有限公司 2022-08-12 CN disclosed