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Sugi Predict / Compounds / SCHEMBL19635425

SCHEMBL19635425

SCHEMBL19635425

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1C/C=C\COCc1[nH]nc(COC(C)C)c1-3

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 19/20 0.51
▸ ALB P02768 2/20 0.40
▸ PMAIP1 Q13794 6/20 0.40
▸ BCL2L1 Q07817 4/20 0.39
▸ BAD Q92934 3/20 0.39
▸ BCL2 P10415 2/20 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
SCHEMBL19635489 0.93 MCL1 (0.52) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635611 0.93 MCL1 (0.57) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635540 0.91 MCL1 (0.53) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635428 0.88 MCL1 (0.62) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635275 0.85 MCL1 (0.47) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19634962 0.85 MCL1 (0.47) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635511 0.84 MCL1 (0.55) MCL1BCL2L1BADBCL2
SCHEMBL19634949 0.84 MCL1 (0.54) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635484 0.84 MCL1 (0.56) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635909 0.82 MCL1 (0.55) MCL1ALBPMAIP1BCL2L1BAD

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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 — — EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 — — WO disclosed