SCHEMBL28671585

SCHEMBL28671585

BrCCCOc1ccccc1N=Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MBTPS1 Q14703 2/20 0.36
CASP3 P42574 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
SENP8 Q96LD8 1/20 0.36
PPARA Q07869 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
ADRB2 P07550 1/20 0.34
MAPK1 P28482 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 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
SCHEMBL28759903 0.94 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMBTPS1CASP3
SCHEMBL30279573 0.83 CYP1A2 (0.50) ALDH1A1MEN1KMT2AMBTPS1PPARA
SCHEMBL28399954 0.83 HTR1B (0.47) ALDH1A1MEN1KMT2AMBTPS1CASP3
SCHEMBL29183507 0.81 KDM4E (0.55) ALDH1A1MEN1KMT2AMBTPS1CASP3
SCHEMBL4942744 0.81 MEN1 (0.47) MEN1KMT2ACHRNA7CHRNA10CHRNA9
SCHEMBL29283713 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMBTPS1CASP3
SCHEMBL30602587 0.81 MEN1 (0.47) MEN1KMT2ACHRNA7CHRNA10CHRNA9
SCHEMBL11836144 0.81 MEN1 (0.47) MEN1KMT2ACHRNA7CHRNA10CHRNA9
SCHEMBL9558842 0.81 MEN1 (0.47) MEN1KMT2ACHRNA7CHRNA10CHRNA9
SCHEMBL28940535 0.81 MEN1 (0.47) MEN1KMT2ACHRNA7CHRNA10CHRNA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880753-A Preparation of azobenzene/CB [7 ]/polydopamine compound and application in photothermal tumor treatment 北京化工大学 2022-01-04 CN claimed
CN-113880753-B Preparation of azobenzene/CB 7/polydopamine compound and application thereof in photothermal tumor treatment 北京化工大学 2023-12-15 CN disclosed
CN-113880753-B Preparation of azobenzene/CB 7/polydopamine compound and application thereof in photothermal tumor treatment 北京化工大学 2023-12-15 CN disclosed
CN-113880753-A Preparation of azobenzene/CB [7 ]/polydopamine compound and application in photothermal tumor treatment 北京化工大学 2022-01-04 CN disclosed
CN-113880753-A Preparation of azobenzene/CB [7 ]/polydopamine compound and application in photothermal tumor treatment 北京化工大学 2022-01-04 CN disclosed