SCHEMBL19635735

SCHEMBL19635735

CC1NN(C)C2=C1c1cccc3c(CCCOc4cccc5c(Cl)cccc45)c(C(=O)O)n(c13)CCCCOC2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 8/20 0.54
BAD Q92934 8/20 0.54
BCL2 P10415 7/20 0.53
MCL1 Q07820 12/20 0.50

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
SCHEMBL19635627 0.90 MCL1 (0.61) BCL2L1BADBCL2MCL1
SCHEMBL19635763 0.90 BAD (0.56) BCL2L1BADBCL2MCL1
SCHEMBL19635149 0.86 MCL1 (0.53) BCL2L1BADBCL2MCL1
SCHEMBL24378186 0.86 MCL1 (0.61) BCL2L1BADBCL2MCL1
SCHEMBL24378084 0.84 BCL2 (0.59) BCL2L1BADBCL2MCL1
SCHEMBL19615065 0.81 BAD (0.76) BCL2L1BADBCL2MCL1
SCHEMBL19635729 0.81 BAD (0.61) BCL2L1BADBCL2MCL1
SCHEMBL19635539 0.80 BCL2L1 (0.54) BCL2L1BADBCL2MCL1
SCHEMBL19635033 0.79 MCL1 (0.55) BCL2L1BADBCL2MCL1
SCHEMBL19615572 0.78 MCL1 (0.58) BCL2L1BADBCL2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed