SCHEMBL8404109

SCHEMBL8404109

CN(Cc1cnc(Cl)s1)C(=C[N+](=O)[O-])NCCF

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
BMP1 P13497 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
ACHE P22303 2/20 0.31
SLC22A1 O15245 1/20 0.30
ABCB11 O95342 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
ATP4A P20648 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
SCHEMBL8401940 0.89 ACHE (0.31) MAPTMEN1LMNAKMT2AACHE
SCHEMBL8401724 0.87 RECQL (0.36) RECQLMAPTPOLBGAABMP1
SCHEMBL8401739 0.86 RECQL (0.36) RECQLMAPTPOLBGAABMP1
SCHEMBL7660109 0.85 RECQL (0.38) RECQLMAPTPOLBGAABMP1
SCHEMBL7683790 0.85 RECQL (0.38) RECQLMAPTPOLBGAABMP1
SCHEMBL8405315 0.83 RECQL (0.36) RECQLMAPTPOLBGAABMP1
SCHEMBL8401700 0.78 RECQL (0.36) RECQLMAPTPOLBGAAKDM4E
SCHEMBL7670572 0.78 RECQL (0.35) RECQLMAPTPOLBGAABMP1
SCHEMBL7662516 0.77 MAPT (0.39) RECQLMAPTPOLBGAABMP1
SCHEMBL7666642 0.76 RECQL (0.38) RECQLMAPTPOLBGAABMP1

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-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed