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SCHEMBL19635357

SCHEMBL19635357

Cc1nn(C)c2c1-c1cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(c13)CCCN(c1ccc(N3CCN([S+](N)[O-])CC3)cc1)C2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 19/20 0.56
▸ PMAIP1 Q13794 7/20 0.56
▸ BCL2L1 Q07817 2/20 0.56
▸ BAD Q92934 2/20 0.56
▸ ALB P02768 1/20 0.53
▸ BCL2 P10415 1/20 0.49

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
SCHEMBL19615202 0.91 MCL1 (0.64) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19615213 0.90 MCL1 (0.64) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19615348 0.89 MCL1 (0.60) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19615104 0.89 MCL1 (0.63) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19615151 0.88 MCL1 (0.61) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19615092 0.87 MCL1 (0.64) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19615214 0.87 MCL1 (0.55) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19635355 0.87 MCL1 (0.56) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19615243 0.85 MCL1 (0.68) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19635833 0.84 MCL1 (0.55) MCL1PMAIP1BCL2L1BADALB

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