SCHEMBL26845031

SCHEMBL26845031

O=C(NSc1ccc(NCCSc2ccccc2)c([NH+]([O-])O)c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 16/20 0.44
▸ BCL2 P10415 14/20 0.44
▸ BAK1 Q16611 3/20 0.42
▸ BAD Q92934 2/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ BCL2L11 O43521 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ BID P55957 1/20 0.41
▸ BAX Q07812 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ ASPH Q12797 1/20 0.41
▸ BECN1 Q14457 1/20 0.41
▸ BCL2L2 Q92843 1/20 0.41
▸ BBC3 Q9BXH1 1/20 0.41

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
SCHEMBL26846619 0.89 BCL2L1 (0.41) BCL2L1BCL2BAK1BADMDM4
SCHEMBL26844962 0.89 BCL2L1 (0.47) BCL2L1BCL2BAK1BADMDM4
SCHEMBL26845024 0.88 BCL2L1 (0.43) BCL2L1BCL2
SCHEMBL26846618 0.87 BCL2L1 (0.41) BCL2L1BCL2BAD
SCHEMBL21896468 0.82 BCL2L1 (0.59) BCL2L1BCL2BAK1BADMDM4
SCHEMBL26845104 0.81 BCL2L1 (0.40) BCL2L1BCL2
SCHEMBL30600379 0.79 BCL2L1 (0.57) BCL2L1BCL2BAK1BADMDM4
SCHEMBL26681356 0.79 BCL2L1 (0.57) BCL2L1BCL2BAK1BADMDM4
SCHEMBL30600371 0.77 BCL2L1 (0.70) BCL2L1BCL2BAK1BADMDM4
SCHEMBL26682294 0.77 BCL2L1 (0.70) BCL2L1BCL2BAK1BADMDM4

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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