SCHEMBL28835642

SCHEMBL28835642

Cc1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ccc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
RORC P51449 2/20 0.37
PDE4B Q07343 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PDE2A O00408 1/20 0.36
HPGDS O60760 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NAMPT P43490 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL15942578 0.90 USP30 (0.39) USP30MEN1KMT2AKDM4EPKM
SCHEMBL12609838 0.90 HDAC6 (0.40) USP30MEN1KMT2AKDM4EPKM
SCHEMBL503579 0.86 USP30 (0.43) USP30MEN1KMT2AKDM4EPKM
SCHEMBL1990004 0.86 USP30 (0.43) USP30MEN1KMT2AKDM4EPKM
SCHEMBL503578 0.86 USP30 (0.43) USP30MEN1KMT2AKDM4EPKM
SCHEMBL12695328 0.85 HPGDS (0.42) USP30MEN1KMT2AKDM4EPKM
SCHEMBL12695288 0.81 HPGDS (0.41) USP30MEN1KMT2AKDM4EPKM
SCHEMBL17224933 0.80 PDE2A (0.41) USP30MEN1KMT2AKDM4EPKM
SCHEMBL1624754 0.80 USP30 (0.48) USP30KDM4EPKMRORCGPR119
SCHEMBL1624752 0.80 USP30 (0.48) USP30KDM4EPKMRORCGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed