SCHEMBL9093307

SCHEMBL9093307

NCCNCCCNCCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HEXB P07686 8/20 0.53
▸ OGA O60502 5/20 0.53
▸ HEXA P06865 4/20 0.53
▸ HPGD P15428 1/20 0.53
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ DYRK3 O43781 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ EPHA2 P29317 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ ERCC1 P07992 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALOX12 P18054 1/20 0.50

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
SCHEMBL9091826 0.97 KDM4E (0.59) SIRT1KDM4EALDH1A1LMNAHEXB
SCHEMBL8395338 0.95 SIRT1 (0.66) SIRT1KDM4EALDH1A1LMNAHEXB
SCHEMBL27461130 0.84 KDM4E (0.68) KDM4EALDH1A1LMNAHEXBHEXA
SCHEMBL12832289 0.82 HEXA (0.63) KDM4EALDH1A1LMNAHEXBHEXA
SCHEMBL12660542 0.82 SIRT1 (0.66) SIRT1KDM4EALDH1A1HEXBOGA
SCHEMBL12660533 0.81 KEAP1 (0.58) SIRT1KDM4EALDH1A1HEXBOGA
SCHEMBL12660341 0.80 SIRT1 (0.48) SIRT1KDM4EALDH1A1LMNAHEXB
SCHEMBL12660534 0.80 KEAP1 (0.60) SIRT1KDM4EALDH1A1HEXBOGA
SCHEMBL8395399 0.80 SIRT1 (0.66) SIRT1ALDH1A1LMNAHEXBOGA
SCHEMBL8626645 0.80 SIRT1 (0.66) SIRT1KDM4EALDH1A1LMNAHEXB

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
US-5554622-A ACTIVATION OF NONSPECIFIC IMMUNE CELLS, KILLING TUMOR CELLS KNOLL AKTIENGESELLSCHAFT (DE) 1996-09-10 — — US disclosed
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