SCHEMBL28511550

SCHEMBL28511550

NC(=O)C1(C(N)=O)CC1c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.45
RCOR1 Q9UKL0 7/20 0.45
LIG1 P18858 1/20 0.45
MAOB P27338 3/20 0.38
KCNH2 Q12809 2/20 0.38
KDM1B Q8NB78 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL4133969 0.91 KDM1A (0.44) KDM1ARCOR1LIG1MAOBKCNH2
SCHEMBL900614 0.81 KDM1A (0.45) KDM1ARCOR1LIG1MAOBKCNH2
SCHEMBL28519822 0.81 ALDH1A1 (0.40) MAOBMEN1KMT2ALMNAMAOA
SCHEMBL28521164 0.81 KDM1A (0.45) KDM1ARCOR1LIG1MAOBKMT2A
SCHEMBL307974 0.81 KDM1A (0.48) KDM1AMAOBMAOA
SCHEMBL28524795 0.81 KDM1A (0.51) KDM1ARCOR1MEN1KMT2AHTR2C
Water SCHEMBL2458176 0.80 KDM1A (0.44) KDM1ARCOR1LIG1MAOBKCNH2
Hydrochloric Acid SCHEMBL29430083 0.80 KDM1A (0.47) KDM1ARCOR1LIG1MAOBKCNH2
SCHEMBL28524760 0.77 RAB9A (0.48) KDM1AMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL28885346 0.77 KDM1A (0.41) KDM1ARCOR1LIG1SMN1; SMN2LMNA

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
CN-112142619-B 1, 1-cyclopropane dicarboxylic acid amide compound and preparation method and application thereof 浙江工业大学 2023-01-10 CN disclosed
CN-112142619-A 1, 1-cyclopropane dicarboxylic acid amide compound and preparation method and application thereof 浙江工业大学 2020-12-29 CN disclosed