SCHEMBL9453068

SCHEMBL9453068

COC(=O)/C=C/c1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 5/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL9453070 1.00 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTRECQLALDH1A1
SCHEMBL9453117 0.90 ALDH1A1 (0.43) SMN1; SMN2LMNAMAPTRECQLALDH1A1
SCHEMBL9453115 0.90 ALDH1A1 (0.43) SMN1; SMN2LMNAMAPTRECQLALDH1A1
SCHEMBL9453071 0.88 MAPT (0.39) SMN1; SMN2LMNAMAPTRECQLALDH1A1
SCHEMBL9453069 0.88 MAPT (0.39) SMN1; SMN2LMNAMAPTRECQLALDH1A1
SCHEMBL9453042 0.88 ALDH1A1 (0.42) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL6950363 0.88 HPGD (0.49) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL8188674 0.88 HPGD (0.49) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL9453039 0.88 ALDH1A1 (0.42) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL9453119 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTALDH1A1KDM4E

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-5250504-A Pre- and postemergence FMC CORPORATION (US) 1993-10-05 US disclosed
US-5198014-A Herbicidal beta-pyrazolylacrylic acid compound FMC CORPORATION (US) 1993-03-30 US disclosed