SCHEMBL8401739

SCHEMBL8401739

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
BMP1 P13497 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 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
SCHEMBL8401724 0.86 RECQL (0.36) RECQLPOLBGAAMAPTBMP1
SCHEMBL8404109 0.86 RECQL (0.35) RECQLPOLBGAAMAPTBMP1
SCHEMBL7660109 0.84 RECQL (0.38) RECQLPOLBGAAMAPTBMP1
SCHEMBL7683790 0.84 RECQL (0.38) RECQLPOLBGAAMAPTBMP1
SCHEMBL8405315 0.82 RECQL (0.36) RECQLPOLBGAAMAPTBMP1
SCHEMBL8405273 0.80 ALDH1A1 (0.36) MAPTMEN1KMT2A
SCHEMBL7665641 0.78 RECQL (0.36) RECQLPOLBGAAMAPTBMP1
SCHEMBL8401700 0.77 RECQL (0.36) RECQLPOLBGAAMAPTKDM4E
SCHEMBL7662516 0.77 MAPT (0.39) RECQLPOLBGAAMAPTBMP1
SCHEMBL7666642 0.76 RECQL (0.38) RECQLPOLBGAAMAPTBMP1

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