SCHEMBL28630671

SCHEMBL28630671

CCN(C)C(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 16/20 0.58
P4HA1 P13674 1/20 0.58
MIF P14174 1/20 0.58
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 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
Lithium Ion SCHEMBL28654346 0.84 P4HTM (0.40) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL23991487 0.83 ALDH1A1 (0.42) P4HTMKDM4EL3MBTL1MAPK1ALDH1A1
SCHEMBL23991580 0.83 MAPK1 (0.64) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL29204604 0.83 P4HTM (0.56) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL20812007 0.80 HDAC1 (0.50) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL3247777 0.79 NAPRT (0.53) L3MBTL1ALDH1A1MEN1LMNAMAPT
SCHEMBL12844433 0.79 HCAR3 (0.42) MAPTKMT2AHCAR3
SCHEMBL29024751 0.77 HCAR3 (0.41) L3MBTL1MEN1MAPTKMT2ATDP1
SCHEMBL28352245 0.77 ALDH1A1 (0.52) ALDH1A1MEN1MAPTTSHRKMT2A
SCHEMBL14518464 0.76 HDAC4 (0.51) L3MBTL1ALDH1A1MEN1LMNAMAPT

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-113563244-B Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业股份有限公司 2025-01-10 CN disclosed
CN-116354992-A PDE4 inhibitor and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-116354931-A Substituted oxazole derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-113563244-A Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业有限公司 2021-10-29 CN disclosed
CN-112707873-A Substituted oxazole derivative and application thereof in medicine 广东东阳光药业有限公司 2021-04-27 CN disclosed