SCHEMBL28192558

SCHEMBL28192558

O=C(O)C1CC(CCc2ccccc2)N1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
HIF1A Q16665 1/20 0.59
CYP2D6 P10635 2/20 0.43
LMNA P02545 2/20 0.43
BLM P54132 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC1A2 P43004 1/20 0.42
KEAP1 Q14145 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41

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
SCHEMBL29224574 0.82 KDM4E (0.55) KDM4EMAPTHIF1A
SCHEMBL11243299 0.76 ARG1 (0.54) KDM4EMAPTHIF1ACYP2D6ALOX15
SCHEMBL11243295 0.76 ARG1 (0.54) KDM4EMAPTHIF1ACYP2D6ALOX15
SCHEMBL27692705 0.75 KDM4E (0.42) KDM4EMAPTHIF1ALMNASLC1A2
SCHEMBL4816295 0.72
SCHEMBL1841593 0.71 FFAR4 (0.60)
SCHEMBL15684283 0.71 S1PR1 (0.50) KDM4EMAPTHIF1ASLC1A2KEAP1
SCHEMBL2851779 0.71 KDM4E (0.50) KDM4EMAPTHIF1ARAB9AKEAP1
SCHEMBL2856431 0.71 KDM4E (0.50) KDM4EMAPTHIF1ARAB9AKEAP1
SCHEMBL31728258 0.71 FFAR4 (0.60)

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-107406451-A Pyrrolopyrimidines and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors 福马治疗股份有限公司 2017-11-28 CN disclosed