SCHEMBL24356804

SCHEMBL24356804

c1ccc(-c2ccc(-c3ccc(-c4ncnc(-c5ccc6ccccc6c5)n4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ CYP17A1 P05093 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43

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
SCHEMBL26453123 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL18215052 0.98 KDM4E (0.54) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL25841432 0.96 KDM4E (0.53) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL24687218 0.96 KDM4E (0.53) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL30417008 0.94 ESR1 (0.50) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL24357481 0.94 ESR1 (0.50) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL21862890 0.93 KDM4E (0.50) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL17451057 0.92 KDM4E (0.47) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL15274129 0.88 MEN1 (0.59) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL15274128 0.88 MEN1 (0.59) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A

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
WO-2022086296-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 — — WO disclosed
WO-2022086297-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 — — WO disclosed
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