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SCHEMBL30687906

SCHEMBL30687906

O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(C(F)(F)F)c1)c1ccc(N2CCN(C(=O)c3cc(-c4cncc(O)c4)cc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 19/20 0.53
▸ BCL2 P10415 14/20 0.52
▸ MCL1 Q07820 7/20 0.43
▸ BCL2L2 Q92843 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ MARK2 Q7KZI7 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40

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
SCHEMBL26681722 1.00 BCL2L1 (0.53) BCL2L1BCL2MCL1BCL2L2AURKA
SCHEMBL26680572 0.96 BCL2L1 (0.53) BCL2L1BCL2MCL1BCL2L2
SCHEMBL26682446 0.92 BCL2L1 (0.49) BCL2L1BCL2MCL1BCL2L2
SCHEMBL30687844 0.92 BCL2L1 (0.49) BCL2L1BCL2MCL1BCL2L2
SCHEMBL26681747 0.92 BCL2L1 (0.55) BCL2L1BCL2MCL1BCL2L2AURKA
SCHEMBL26680265 0.92 BCL2L1 (0.66) BCL2L1BCL2MCL1AURKAPLK1
SCHEMBL26680598 0.91 BCL2L1 (0.52) BCL2L1BCL2MCL1BCL2L2
SCHEMBL26680713 0.90 BCL2L1 (0.54) BCL2L1BCL2MCL1BCL2L2AURKA
SCHEMBL30687566 0.90 BCL2L1 (0.54) BCL2L1BCL2MCL1BCL2L2AURKA
SCHEMBL26682222 0.90 BCL2L1 (0.49) BCL2L1BCL2MCL1BCL2L2

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
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