SCHEMBL30489155

SCHEMBL30489155

CCOC(=O)c1cc2ccccc2n1CCBr

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.73
CRHBP P24387 1/20 0.73
CRHR2 Q13324 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
NOD2 Q9HC29 6/20 0.65
NOD1 Q9Y239 6/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
F10 P00742 2/20 0.58
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
SRC P12931 1/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL18322286 1.00 KDM4E (0.73) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL6752352 0.88 KDM4E (0.71) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL4215637 0.86 KDM4E (0.70) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL13742183 0.86 KDM4E (0.70) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL3259707 0.86 NOD2 (0.71) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL8686408 0.85 SMN1; SMN2 (0.68) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL15622712 0.85 KDM4E (0.68) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL15622413 0.85 KDM4E (0.68) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL28669136 0.85 NOD2 (0.70) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL8478235 0.84 KDM4E (0.78) KDM4ECRHBPCRHR2SMN1; SMN2NOD2

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-107787322-B Tricyclic compounds and their use as phosphodiesterase inhibitors 辉瑞大药厂 2023-07-07 CN disclosed