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SCHEMBL30687767

SCHEMBL30687767

O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3cc(-c4cncc(O)c4)cc(C(F)(F)F)c3)CC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 19/20 0.47
▸ BCL2 P10415 15/20 0.47
▸ MCL1 Q07820 9/20 0.46
▸ BAK1 Q16611 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ MARK2 Q7KZI7 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43

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
SCHEMBL26681086 1.00 BCL2L1 (0.47) BCL2L1BCL2MCL1BAK1AURKA
SCHEMBL30687670 0.93 BCL2L1 (0.48) BCL2L1BCL2MCL1BAK1AURKA
SCHEMBL26682250 0.93 BCL2L1 (0.48) BCL2L1BCL2MCL1BAK1AURKA
SCHEMBL26683171 0.92 BCL2L1 (0.44) BCL2L1BCL2MCL1
SCHEMBL26681429 0.92 BCL2L1 (0.46) BCL2L1BCL2MCL1BAK1AURKA
SCHEMBL26682692 0.92 BCL2L1 (0.46) BCL2L1BCL2MCL1BAK1
SCHEMBL26681028 0.91 BCL2L1 (0.52) BCL2L1BCL2MCL1BAK1AURKA
SCHEMBL26682087 0.89 BCL2L1 (0.61) BCL2L1BCL2MCL1
SCHEMBL30687574 0.89 BCL2L1 (0.48) BCL2L1BCL2MCL1BAK1
SCHEMBL26682871 0.89 BCL2L1 (0.48) BCL2L1BCL2MCL1BAK1

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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