SCHEMBL30687834

SCHEMBL30687834

O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(C(F)(F)F)c1)c1ccc(N2CCN(Cc3ccc(-c4cncc(O)c4)c(F)c3)CC2)nn1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 17/20 0.45
▸ BCL2 P10415 13/20 0.45
▸ MCL1 Q07820 5/20 0.37
▸ DCTPP1 Q9H773 1/20 0.35

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
SCHEMBL26681547 1.00 BCL2L1 (0.45) BCL2L1BCL2MCL1DCTPP1
SCHEMBL30687910 0.94 BCL2L1 (0.44) BCL2L1BCL2MCL1DCTPP1
SCHEMBL26681709 0.94 BCL2L1 (0.44) BCL2L1BCL2MCL1DCTPP1
SCHEMBL26680375 0.93 BCL2L1 (0.44) BCL2L1BCL2MCL1DCTPP1
SCHEMBL26680618 0.91 BCL2L1 (0.42) BCL2L1BCL2MCL1
SCHEMBL30687611 0.91 BCL2L1 (0.42) BCL2L1BCL2MCL1
SCHEMBL26681741 0.91 BCL2L1 (0.54) BCL2L1BCL2MCL1
SCHEMBL30687633 0.90 BCL2L1 (0.49) BCL2L1BCL2MCL1
SCHEMBL26681261 0.90 BCL2L1 (0.49) BCL2L1BCL2MCL1
SCHEMBL30687905 0.90 BCL2L1 (0.47) BCL2L1BCL2MCL1

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-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
Send feedback