SCHEMBL29923658

SCHEMBL29923658

COc1ccc2ncc(Cl)c(Br)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
GRM1 Q13255 1/20 0.42
EGFR P00533 4/20 0.42
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GABRA6 Q16445 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2998324 1.00 SRC (0.45) SRCLMNAKDM4EMAPTGRM1
SCHEMBL3828983 0.92 KDM4E (0.42) SRCLMNAKDM4EMAPTGRM1
SCHEMBL21947678 0.87 SRC (0.45) SRCLMNAKDM4EMAPTEGFR
SCHEMBL440060 0.81 BCHE (0.50) SRCLMNAKDM4EMAPTHTR1A
SCHEMBL3247140 0.81 KDM4E (0.48) SRCLMNAKDM4EMAPTGRM1
SCHEMBL5185398 0.81 SRC (0.45) SRCLMNAKDM4EMAPTGRM1
SCHEMBL29393432 0.81 KDM4E (0.46) LMNAKDM4EMAPTGRM1EGFR
SCHEMBL2949117 0.81 KDM4E (0.46) LMNAKDM4EMAPTGRM1EGFR
SCHEMBL2946799 0.81 LMNA (0.43) LMNAKDM4EMAPTGRM1EGFR
SCHEMBL31384368 0.81 LMNA (0.43) SRCLMNAKDM4EMAPTGRM1

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed