SCHEMBL30417820

SCHEMBL30417820

COc1cc(F)c(F)cc1[C@@H](N)c1cc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALOX5 P09917 1/20 0.39
▸ FLT3 P36888 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ AOC3 Q16853 2/20 0.35

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
SCHEMBL23522208 1.00 KDM4E (0.43) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL23522203 1.00 KDM4E (0.43) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL23521919 0.86 KDM4E (0.45) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL29662251 0.86 KDM4E (0.45) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL23521842 0.86 KDM4E (0.45) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL23521838 0.86 KDM4E (0.45) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL23522145 0.85 KDM4E (0.51) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL30418860 0.85 KDM4E (0.51) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL23522147 0.85 KDM4E (0.51) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL23522223 0.82 ALDH1A1 (0.43) KDM4EMAPTRAB9AMEN1ALDH1A1

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-3838898-B1 ISOINDOLIN-1-ONE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS AN EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-06-07 — — EP disclosed
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