SCHEMBL24535397

SCHEMBL24535397

CCc1ccccc1CP(c1ccccn1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.36
PTK2 Q05397 1/20 0.34
SGMS2 Q8NHU3 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32

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
SCHEMBL2145797 0.82 KDM4E (0.35) KDM4EGAACYP1A2
SCHEMBL2145720 0.81 KDM4E (0.37) KDM4EGAACYP1A2
SCHEMBL24407170 0.80 KDM4E (0.36) KDM4EGAAALDH1A1PTK2SGMS2
SCHEMBL8159573 0.77 KDM4E (0.48) KDM4EGAAALDH1A1CYP1A2
SCHEMBL24535429 0.74 MEN1 (0.33)
SCHEMBL18419610 0.73 KDM4E (0.33) KDM4EGAACYP1A2
SCHEMBL24535294 0.73 KDM4E (0.30) KDM4EGAA
SCHEMBL9209503 0.72 ALDH1A1 (0.41) KDM4EALDH1A1TRPM8CYP1A2HTR1A
SCHEMBL3115391 0.72 KDM4E (0.52) KDM4EGAAALDH1A1CYP1A2MAPT
SCHEMBL2145688 0.71 KDM4E (0.35) KDM4EGAAALDH1A1MAPTNPSR1

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
WO-2022132048-A1 PHOSPHORUS COMPOUNDS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-06-23 WO disclosed