SCHEMBL24585193

SCHEMBL24585193

C=C(CBr)C(=O)Nc1cc2c(cc1OC)NCNC2Nc1ccc(F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ EGFR P00533 10/20 0.37
▸ ERBB2 P04626 5/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ ERBB4 Q15303 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ DUS2 Q9NX74 1/20 0.37

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
SCHEMBL24585191 0.93 KDM4E (0.39) KDM4EMAPTEGFRERBB2HDAC3
SCHEMBL22914712 0.87 KDM4E (0.41) KDM4EMAPTEGFRERBB2HDAC3
SCHEMBL24584631 0.86 KDM4E (0.42) KDM4EMAPTEGFRERBB2HDAC3
SCHEMBL24584632 0.80 KDM4E (0.36) KDM4EMAPTEGFRERBB2ERBB4
SCHEMBL19737040 0.78 EGFR (0.59) EGFRERBB2ERBB4SRC
SCHEMBL24585190 0.78 MAPT (0.36) KDM4EMAPTEGFRERBB2IDO1
SCHEMBL19006648 0.75 EGFR (0.47) MAPTEGFRERBB2HDAC3HDAC4
SCHEMBL19736796 0.71 EGFR (0.60) EGFRERBB2ERBB4ERBB3ABL1
SCHEMBL19737042 0.70 EGFR (0.62) EGFRERBB2ERBB4ERBB3ABL1
SCHEMBL18632984 0.70 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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