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SCHEMBL30687656

SCHEMBL30687656

O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCN(C(=O)c3cc(-c4cccc(O)c4)cc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 19/20 0.68
▸ BCL2 P10415 16/20 0.66
▸ MCL1 Q07820 11/20 0.56
▸ AURKA O14965 1/20 0.53
▸ PLK1 P53350 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ MARK2 Q7KZI7 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ PLK3 Q9H4B4 1/20 0.53

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
SCHEMBL26680884 1.00 BCL2L1 (0.68) BCL2L1BCL2MCL1AURKAPLK1
SCHEMBL26682387 0.94 BCL2L1 (0.70) BCL2L1BCL2MCL1AURKAPLK1
SCHEMBL26680265 0.92 BCL2L1 (0.66) BCL2L1BCL2MCL1AURKAPLK1
SCHEMBL26681747 0.91 BCL2L1 (0.55) BCL2L1BCL2MCL1AURKAPLK1
SCHEMBL26680325 0.91 BCL2L1 (0.61) BCL2L1BCL2MCL1AURKAPLK1
SCHEMBL26682612 0.91 BCL2L1 (0.66) BCL2L1BCL2MCL1
SCHEMBL26683055 0.91 BCL2L1 (0.63) BCL2L1BCL2MCL1
SCHEMBL26682890 0.91 BCL2L1 (0.67) BCL2L1BCL2MCL1AURKAPLK1
SCHEMBL30687783 0.89 BCL2L1 (0.53) BCL2L1BCL2MCL1AURKAPLK1
SCHEMBL26681423 0.89 BCL2L1 (0.53) BCL2L1BCL2MCL1AURKAPLK1

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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