SCHEMBL9453083

SCHEMBL9453083

COC(=O)C(Cl)Cc1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL9312130 0.84 MAPK1 (0.43) MAPK1KMT2AMEN1SMN1; SMN2CNR1
SCHEMBL9312123 0.80 MAPK1 (0.44) MAPK1KMT2AMEN1SMN1; SMN2CNR1
SCHEMBL9310628 0.79 CNR1 (0.40) MAPK1KMT2AMEN1SMN1; SMN2CNR1
SCHEMBL9310026 0.78 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2CNR1CNR2
SCHEMBL9453118 0.77 AR (0.36) ALDH1A1KDM4EHPGD
SCHEMBL9453070 0.76 SMN1; SMN2 (0.43) MAPK1KMT2AMEN1SMN1; SMN2CNR1
SCHEMBL9453068 0.76 SMN1; SMN2 (0.43) MAPK1KMT2AMEN1SMN1; SMN2CNR1
SCHEMBL9586395 0.75 PTGS1 (0.45) KMT2AMEN1SMN1; SMN2CNR1CNR2
SCHEMBL9453117 0.74 ALDH1A1 (0.43) MAPK1KMT2AMEN1SMN1; SMN2CNR1
SCHEMBL9453115 0.74 ALDH1A1 (0.43) MAPK1KMT2AMEN1SMN1; SMN2CNR1

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