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Sugi Predict / Compounds / SCHEMBL19615964

SCHEMBL19615964

SCHEMBL19615964

Cc1ccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCCN(C)C(=O)OC(C)(C)C)c2c1-c1c(CO)nn(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 13/20 0.50
▸ ALB P02768 2/20 0.50
▸ BAD Q92934 9/20 0.46
▸ BCL2L1 Q07817 8/20 0.46
▸ BCL2 P10415 5/20 0.46
▸ PMAIP1 Q13794 3/20 0.44

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
SCHEMBL19635405 0.93 MCL1 (0.43) MCL1ALBBADBCL2L1BCL2
SCHEMBL28645820 0.92 MCL1 (0.58) MCL1ALBBADBCL2L1BCL2
SCHEMBL19616062 0.90 MCL1 (0.57) MCL1ALBBADBCL2L1BCL2
SCHEMBL28658227 0.90 MCL1 (0.49) MCL1ALBBADBCL2L1BCL2
SCHEMBL19635408 0.90 MCL1 (0.40) MCL1ALBBADBCL2L1BCL2
SCHEMBL28637851 0.87 MCL1 (0.54) MCL1ALBBADBCL2L1BCL2
SCHEMBL19635169 0.87 MCL1 (0.42) MCL1ALBBADBCL2L1BCL2
SCHEMBL19615861 0.87 MCL1 (0.47) MCL1ALBBADBCL2L1BCL2
SCHEMBL19618985 0.86 MCL1 (0.52) MCL1ALBBADBCL2L1BCL2
SCHEMBL22437360 0.86 MCL1 (0.52) MCL1ALBBADBCL2L1BCL2

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-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 — — EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 — — WO disclosed