SCHEMBL3984912

SCHEMBL3984912

COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCNC(=O)OC(C)(C)C)cn2C)cn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.47
▸ HRAS P01112 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ SUV39H2 Q9H5I1 2/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ PRKCA P17252 3/20 0.40
▸ P2RY12 Q9H244 1/20 0.39
▸ WDR5 P61964 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ SRC P12931 1/20 0.38

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
SCHEMBL3982298 0.96 SUV39H2 (0.44) TOP1HRASESR1ESR2KDM4E
SCHEMBL3985524 0.90 TOP1 (0.48) TOP1HRASESR1ESR2KDM4E
SCHEMBL14441950 0.89 TOP1 (0.52) TOP1HRASESR1ESR2KDM4E
SCHEMBL31614523 0.89 CA1 (0.53) TOP1KDM4EMAPTSUV39H2CA1
SCHEMBL13845729 0.89 HDAC1 (0.55) TOP1HRASESR1ESR2KDM4E
SCHEMBL31614482 0.88 TOP1 (0.51) TOP1HRASESR1ESR2KDM4E
SCHEMBL31614528 0.88 TOP1 (0.51) TOP1HRASESR1ESR2KDM4E
SCHEMBL31615223 0.88 TOP1 (0.43) TOP1HRASESR1ESR2KDM4E
SCHEMBL25207597 0.87 HDAC1 (0.55) TOP1HRASESR1ESR2KDM4E
SCHEMBL31614507 0.87 TOP1 (0.49) TOP1HRASESR1ESR2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025122764-A1 METHODS AND COMPOUNDS FOR MODULATING INHERITED GENETIC DISEASES Design Therapeutics, Inc. (US) 2025-06-12 — — WO disclosed
WO-2009060208-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2009-05-14 — — WO disclosed
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