SCHEMBL9625513

SCHEMBL9625513

O=C1CN(CCCCCCN2CC(=O)[N]C2=O)C(=O)[N]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.33
HSP90AA1 P07900 1/20 0.30
TLR9 Q9NR96 1/20 0.30
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MGLL Q99685 1/20 0.30
GPR35 Q9HC97 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL6855141 0.78 KMT2A (0.42) ALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL6858200 0.77 KEAP1 (0.42) ALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL8660652 0.74
SCHEMBL6853955 0.74 DRD2 (0.42)
SCHEMBL6849961 0.67 CYP1A2 (0.42)
SCHEMBL6850095 0.66 ALDH1A1 (0.38) GBA1FAAHALDH1A1LMNATP53
SCHEMBL15805648 0.62 GBA1 (0.42) GBA1HSP90AA1FAAHALDH1A1TP53
SCHEMBL11853714 0.62 GSK3A (0.45) ALDH1A1LMNAPKMHPGDMAPK1
SCHEMBL4190795 0.60 CRBN (0.46) HSP90AA1TLR9FAAHALDH1A1LMNA
SCHEMBL11257635 0.60 CRBN (0.46) HSP90AA1TLR9FAAHALDH1A1LMNA

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
US-5081091-A For obtaining high molecular weight/narrow distribution addition homo- and copolymers by controlled bulk polymerization; silicon, germanium or tin organic compounds; cocatalysts IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0405787-A2 Catalysts IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-02 EP disclosed