SCHEMBL9453071

SCHEMBL9453071

CC(C)=NOC(=O)C=Cc1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
HTT P42858 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL9453069 1.00 MAPT (0.39) MAPTHTTHPGDNPSR1SMN1; SMN2
SCHEMBL9453070 0.88 SMN1; SMN2 (0.43) MAPTHTTHPGDNPSR1SMN1; SMN2
SCHEMBL9453068 0.88 SMN1; SMN2 (0.43) MAPTHTTHPGDNPSR1SMN1; SMN2
SCHEMBL9453119 0.85 SMN1; SMN2 (0.43) MAPTHTTHPGDNPSR1SMN1; SMN2
SCHEMBL9453122 0.85 SMN1; SMN2 (0.43) MAPTHTTHPGDNPSR1SMN1; SMN2
SCHEMBL9453039 0.84 ALDH1A1 (0.42) MAPTHTTHPGDNPSR1SMN1; SMN2
SCHEMBL6950363 0.84 HPGD (0.49) MAPTHTTHPGDNPSR1SMN1; SMN2
SCHEMBL8188674 0.84 HPGD (0.49) MAPTHTTHPGDNPSR1SMN1; SMN2
SCHEMBL9453042 0.84 ALDH1A1 (0.42) MAPTHTTHPGDNPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL9453044 0.83 HPGD (0.48) MAPTHTTHPGDNPSR1SMN1; SMN2

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