SCHEMBL24628974

SCHEMBL24628974

CCOc1cncc(-c2ccc(CN3CCN(c4ccc(C(=O)N[S+]([O-])c5ccc(NCCSc6ccccc6)c(C(F)(F)F)c5)nn4)CC3)cc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ SCD O00767 11/20 0.33
▸ DCTPP1 Q9H773 2/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ PARP1 P09874 2/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL30687807 0.90 BCL2L1 (0.42) BCL2BCL2L1
SCHEMBL26657749 0.90 BCL2L1 (0.42) BCL2BCL2L1
SCHEMBL26859180 0.89 SSTR5 (0.35) BCL2BCL2L1SCDDCTPP1SSTR5
SCHEMBL30687611 0.85 BCL2L1 (0.42) BCL2BCL2L1
SCHEMBL26680618 0.85 BCL2L1 (0.42) BCL2BCL2L1
SCHEMBL30687912 0.83 BCL2L1 (0.42) BCL2BCL2L1
SCHEMBL26682049 0.83 BCL2L1 (0.42) BCL2BCL2L1
SCHEMBL24620134 0.82 MAPT (0.36) BCL2BCL2L1SSTR5
SCHEMBL30687910 0.82 BCL2L1 (0.44) BCL2BCL2L1DCTPP1
SCHEMBL26681709 0.82 BCL2L1 (0.44) BCL2BCL2L1DCTPP1

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 2 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
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