SCHEMBL7976489

SCHEMBL7976489

CCn1nnc(-c2ccc(C[N+]3([O-])CCC(C(O)(c4ccc5c(c4)OC(F)(F)O5)c4ccc5c(c4)OC(F)(F)O5)CC3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCHR1 Q99705 1/20 0.32
TP53 P04637 2/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
POLB P06746 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
RORC P51449 1/20 0.31
NTRK1 P04629 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
SCHEMBL7465767 0.85 LMNA (0.43) LMNASMN1; SMN2MAPTHDAC6TSHR
SCHEMBL7990602 0.85 KCNH2 (0.45) LMNASMN1; SMN2HTTUSP2TSHR
SCHEMBL7976493 0.76 KCNH2 (0.45) LMNASMN1; SMN2HDAC6HTTUSP2
SCHEMBL7472407 0.76 ALDH1A1 (0.39) LMNASMN1; SMN2MAPTHDAC6TP53
SCHEMBL7990538 0.72 LMNA (0.31) LMNASMN1; SMN2ALDH1A1AOC3
SCHEMBL7469010 0.70 DNMT1 (0.53) LMNASMN1; SMN2HDAC6USP2TSHR
SCHEMBL7990886 0.69 KCNH2 (0.53) MCHR1
SCHEMBL7470569 0.65 HDAC6 (0.43) LMNASMN1; SMN2HDAC6USP2TSHR
SCHEMBL7994384 0.63 KCNH2 (0.53) MCHR1
SCHEMBL7983659 0.61 CYP1A1 (0.40) LMNAMAPTHTTALDH1A1

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
US-6184234-B1 EFFECTIVE AGRICULTURAL PESTICIDE FOR TOBACCO, BEETS, BEANS, CABBAGE CROPS FMC CORPORATION 2001-02-06 US claimed