SCHEMBL21021848

SCHEMBL21021848

C=C(c1cc(N)ccc1C)N(C)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.33
PDE10A Q9Y233 1/20 0.33
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLQ O75417 1/20 0.30
APP P05067 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
SCHEMBL21021746 0.90 CES2 (0.33) CASP1TSHRALDH1A1CYP3A4PDE10A
SCHEMBL21022031 0.84 HSD17B1 (0.38) CASP1TSHRALDH1A1CYP3A4PDE10A
SCHEMBL21020615 0.82 TSHR (0.37) CASP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL21020737 0.78 MAOA (0.39) CASP1TSHRALDH1A1
SCHEMBL21021797 0.78 L3MBTL1 (0.34) ALDH1A1CYP3A4TDP1MAPTPOLB
SCHEMBL21021337 0.74 MEN1 (0.43) TSHRALDH1A1TP53ALOX15TDP1
SCHEMBL21021731 0.74 SLC6A2 (0.35) PDE10A
SCHEMBL21022306 0.73 HRH4 (0.35) ALDH1A1MAPT
SCHEMBL21022138 0.72 NPC1 (0.42) CASP1TSHRALDH1A1MAPT
SCHEMBL21020630 0.72 GAA (0.35) GAAMAPTPKMAPP

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed