SCHEMBL30414565

SCHEMBL30414565

O=C(NS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2CCOCC2)c2[nH]cnc12)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 16/20 0.38
BCL2L1 Q07817 5/20 0.38
ALKBH2 Q6NS38 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
FTO Q9C0B1 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL30413781 0.92 BCL2 (0.39) BCL2BCL2L1MAPT
SCHEMBL25224949 0.82 RORC (0.36) MAPT
SCHEMBL31019217 0.82 KCNH2 (0.39) BCL2BCL2L1MAPTMAPK1
SCHEMBL30489356 0.77 BCL2L1 (0.46) BCL2BCL2L1MAPTMAPK1MCL1
SCHEMBL25219639 0.76 KMT2A (0.37)
SCHEMBL30414356 0.76 KMT2A (0.37)
SCHEMBL26444023 0.76 GSTP1 (0.42) MAPTMAPK1
SCHEMBL30112805 0.75 BCL2L1 (0.46) BCL2BCL2L1MCL1
SCHEMBL30311483 0.75 MAPT (0.46) BCL2BCL2L1MAPTMAPK1MCL1
SCHEMBL1955748 0.75 BCL2L1 (0.59) BCL2BCL2L1MAPTMAPK1MCL1

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
CN-116217566-B Anti-apoptosis protein BCL-2 inhibitor, pharmaceutical composition and application thereof 杭州和正医药有限公司 2025-05-23 CN disclosed
CN-118215661-A Compounds as BCL-2 inhibitors 重庆复创医药研究有限公司 2024-06-18 CN disclosed
CN-116217566-A Anti-apoptosis protein BCL-2 inhibitor, pharmaceutical composition and application thereof 杭州和正医药有限公司 2023-06-06 CN disclosed