SCHEMBL20076641

SCHEMBL20076641

C=C(C)Nc1cc(N)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL29664617 0.81 NPC1 (0.50) ALDH1A1MAPTNPC1CA1CA2
SCHEMBL3785537 0.81 NPC1 (0.50) ALDH1A1MAPTNPC1CA1CA2
SCHEMBL12824895 0.79 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL20077025 0.79 TMPRSS4 (0.35) MEN1KMT2AKDRTEKGAA
SCHEMBL23465739 0.76 CA1 (0.33) ALDH1A1CA1CA2CA9
SCHEMBL2860521 0.76 MAPT (0.42) MEN1KMT2AKDRALDH1A1MAPT
SCHEMBL17560511 0.76 HDAC1 (0.35) MEN1KMT2AKDRTEKMAPT
SCHEMBL2306460 0.75 KDR (0.49) MEN1KMT2AKDRTEKALDH1A1
SCHEMBL5508382 0.74 ALDH1A1 (0.36) ALDH1A1MAPTGAAMAPK1HTT
SCHEMBL3221901 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTGAA

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed