SCHEMBL24584631

SCHEMBL24584631

C=C(CNc1cc2c(cc1OC)NCNC2Nc1ccc(F)c(Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 6/20 0.41
▸ GAA P10253 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ TDO2 P48775 2/20 0.40
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EGFR P00533 7/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ERBB2 P04626 2/20 0.34
▸ ERBB4 Q15303 1/20 0.34
▸ HDAC3 O15379 1/20 0.34

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
SCHEMBL24584632 0.87 KDM4E (0.36) KDM4EMAPTGAAIDO1TDO2
SCHEMBL24585193 0.86 KDM4E (0.39) KDM4EMAPTGAAIDO1TDO2
SCHEMBL24585191 0.86 KDM4E (0.39) KDM4EMAPTGAAIDO1TDO2
SCHEMBL22914712 0.84 KDM4E (0.41) KDM4EMAPTGAAIDO1TDO2
SCHEMBL24585190 0.79 MAPT (0.36) KDM4EMAPTIDO1TDO2MEN1
SCHEMBL19737040 0.76 EGFR (0.59) EGFRERBB2ERBB4
SCHEMBL19006648 0.76 EGFR (0.47) MAPTMEN1KMT2AEGFRERBB2
SCHEMBL19736796 0.69 EGFR (0.60) EGFRERBB2ERBB4ERBB3
SCHEMBL24584630 0.69 EGFR (0.71) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL18632984 0.69 EGFR (0.64) EGFRERBB2ERBB4ERBB3DUS2

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-2022137240-A1 METHACRYLAMIDES PROTEIN BINDERS AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-06-30 — — WO disclosed
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