SCHEMBL19635602

SCHEMBL19635602

CCN(CC)SN1CCN(c2ccc(OCc3nn(C)c4c3-c3cccc5c(CCCOc6cccc7ccccc67)c(C(=O)O)n(c35)CCCCOC4)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.62
BAD Q92934 4/20 0.58
BCL2L1 Q07817 3/20 0.58
BCL2 P10415 4/20 0.55

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
SCHEMBL19635246 0.95 MCL1 (0.56) MCL1BADBCL2L1BCL2
SCHEMBL19635339 0.93 MCL1 (0.66) MCL1BADBCL2L1BCL2
SCHEMBL19615195 0.92 MCL1 (0.67) MCL1BADBCL2L1BCL2
SCHEMBL19635675 0.92 MCL1 (0.68) MCL1BADBCL2L1BCL2
SCHEMBL19635594 0.91 MCL1 (0.61) MCL1BADBCL2L1BCL2
SCHEMBL19615087 0.90 MCL1 (0.66) MCL1BADBCL2L1BCL2
SCHEMBL19615140 0.90 MCL1 (0.62) MCL1BADBCL2L1BCL2
SCHEMBL19635620 0.90 MCL1 (0.64) MCL1BADBCL2L1BCL2
SCHEMBL19615407 0.90 MCL1 (0.65) MCL1BADBCL2L1BCL2
SCHEMBL19615184 0.89 MCL1 (0.65) MCL1BADBCL2L1BCL2

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