SCHEMBL24378166

SCHEMBL24378166

Cn1nc(CC(F)F)c2c1COCCCCn1c(C(O)O)c(CCCOc3cccc4ccccc34)c3cccc-2c31

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.60
BAD Q92934 4/20 0.56
BCL2L1 Q07817 3/20 0.56
BCL2 P10415 3/20 0.53
PMAIP1 Q13794 1/20 0.46

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
SCHEMBL19635134 0.92 MCL1 (0.60) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635478 0.91 MCL1 (0.73) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635419 0.90 MCL1 (0.57) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635632 0.89 MCL1 (0.64) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19634999 0.88 MCL1 (0.65) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635398 0.84 MCL1 (0.54) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635775 0.83 MCL1 (0.58) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635345 0.82 MCL1 (0.74) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19615154 0.82 MCL1 (0.74) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL24378176 0.82 MCL1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed