SCHEMBL26489472

SCHEMBL26489472

c1ccc2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3cc5ccccc5cc34)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PPARG P37231 7/20 0.34
▸ PPARA Q07869 7/20 0.34
▸ CYP2C19 P33261 2/20 0.33

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
SCHEMBL26489490 0.96 MCL1 (0.37) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL26490579 0.94 MCL1 (0.39) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL26490362 0.93 MCL1 (0.35) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL26061541 0.92 MCL1 (0.34) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL26490384 0.92 CA12 (0.36) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL26020727 0.91 MCL1 (0.34) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL26020553 0.90 MCL1 (0.32) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL23348364 0.90 ALOX5 (0.36) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL18371296 0.89 CA12 (0.39) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL26490543 0.89 ABCG2 (0.36) MCL1ACMSDENPP3ENPP1ALDH1A1

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
US-20230329025-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 — — US disclosed
US-20230329025-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 — — US disclosed
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