SCHEMBL24619957

SCHEMBL24619957

O=C(NSc1ccc(NCCSc2ccccc2)c(C(F)(F)F)c1)c1ccc(N2CCN(Cc3ccccc3Br)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 14/20 0.42
▸ BCL2 P10415 9/20 0.42
▸ BCL2L2 Q92843 1/20 0.42
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL26844943 0.89 BCL2L1 (0.45) BCL2L1BCL2NPC1RAB9AKDM4E
SCHEMBL26657746 0.86 BCL2L1 (0.56) BCL2L1BCL2BCL2L2
SCHEMBL26845024 0.86 BCL2L1 (0.43) BCL2L1BCL2NPC1RAB9A
SCHEMBL24619868 0.83 BCL2L1 (0.39) BCL2L1BCL2BCL2L2FAAHKDM4E
SCHEMBL24629034 0.83 BCL2L1 (0.43) BCL2L1BCL2BCL2L2
SCHEMBL24619782 0.82 BCL2L1 (0.40) BCL2L1BCL2BCL2L2
SCHEMBL26857118 0.77 BCL2L1 (0.59) BCL2L1BCL2
SCHEMBL26844962 0.77 BCL2L1 (0.47) BCL2L1BCL2BCL2L2
SCHEMBL26680363 0.77 BCL2L1 (0.60) BCL2L1BCL2BCL2L2
SCHEMBL26657560 0.75 BCL2L1 (0.75) BCL2L1BCL2

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 3 patents. 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
WO-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 — — WO disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 — — WO disclosed
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