SCHEMBL21021265

SCHEMBL21021265

C=C(Nc1ccc(F)cc1)c1cc(N)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
AR P10275 3/20 0.36
PLA2G7 Q13093 1/20 0.35
IDO1 P14902 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TGM2 P21980 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33

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
SCHEMBL18146951 0.84 LMNA (0.47) LMNANPC1RAB9ATP53MAPK10
SCHEMBL21021576 0.82 LMNA (0.41) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL21022138 0.79 NPC1 (0.42) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL21021713 0.77 TGM2 (0.41) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL21022127 0.76 HTT (0.42) NPC1RAB9ATP53MAPK10ALDH1A1
SCHEMBL22401233 0.72 KDM4E (0.49) LMNAALDH1A1KDM4EUSP2MAPT
SCHEMBL21021091 0.71 MAPT (0.44) LMNARAB9AALDH1A1KDM4EMAPT
SCHEMBL21021742 0.70 ALDH1A1 (0.41) LMNANPC1RAB9AALDH1A1IDO1
SCHEMBL20076473 0.69 KDM4E (0.35) LMNAALDH1A1KDM4EUSP2MAPT
SCHEMBL27606045 0.69 KDM4E (0.46) LMNANPC1RAB9AALDH1A1KDM4E

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