SCHEMBL28528200

SCHEMBL28528200

COC(=O)c1ccc(NC(=O)C2(C(N)=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
POLB P06746 2/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL30074420 0.91 MEN1 (0.59) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL28524761 0.83 NPC1 (0.54) KMT2APOLBMAPTALDH1A1HPGD
SCHEMBL2056400 0.81 SPHK1 (0.53) KMT2APOLBNPC1RAB9AHTT
SCHEMBL8238318 0.81 KIF11 (0.51) POLBALDH1A1NPC1RAB9AKDM4E
SCHEMBL28521165 0.78 NPC1 (0.56) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL28511551 0.78 MEN1 (0.47) MEN1KMT2ALMNA
SCHEMBL407809 0.78 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2054658 0.77 KIF11 (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL20764440 0.77 MEN1 (0.67) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL28533796 0.77 EPHX2 (0.58) MEN1KMT2AMAPTNPC1KDM4E

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