SCHEMBL29380378

SCHEMBL29380378

COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNC(=O)Cc1ccccc1)c1nnc(C)n1-2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.78
▸ HDAC1 Q13547 2/20 0.78
▸ HDAC2 Q92769 2/20 0.78
▸ BRD2 P25440 2/20 0.78
▸ SMCHD1 A6NHR9 1/20 0.78
▸ MYO1G B0I1T2 1/20 0.78
▸ AIP O00170 1/20 0.78
▸ AP3B1 O00203 1/20 0.78
▸ PSMD11 O00231 1/20 0.78
▸ CDC7 O00311 1/20 0.78
▸ SAP18 O00422 1/20 0.78
▸ KPNA3 O00505 1/20 0.78
▸ PPP6C O00743 1/20 0.78
▸ TCERG1 O14776 1/20 0.78
▸ UBE2L6 O14933 1/20 0.78
▸ PPP1R12A O14974 1/20 0.78
▸ U2SURP O15042 1/20 0.78
▸ SETD1A O15047 1/20 0.78
▸ ARPC1B O15143 1/20 0.78
▸ POLR1C O15160 1/20 0.78

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
SCHEMBL25255616 1.00 BRD4 (0.78) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15981812 0.93 BRD4 (0.79) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL1869987 0.93 BRD4 (0.79) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL29377393 0.93 BRD4 (0.79) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL25215661 0.92 BRD4 (0.85) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL14756861 0.92 BRD4 (0.81) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL29377764 0.92 BRD4 (0.81) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15968213 0.91 BRD4 (0.73) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15981852 0.91 BRD4 (0.78) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15967894 0.91 BRD4 (0.70) BRD4HDAC1HDAC2BRD2SMCHD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192825-A2 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM Cornell University (US) 2023-06-14 — — EP disclosed
EP-4192504-A2 THERAPEUTIC CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USING THEM Cornell University (US) 2023-06-14 — — EP disclosed
WO-2022031777-A2 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2022-02-10 — — WO disclosed
WO-2022031774-A2 THERAPEUTIC CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2022-02-10 — — WO disclosed
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