SCHEMBL9799633

SCHEMBL9799633

NC(=O)CON=C(c1cccc(Cl)c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GRIN2B Q13224 2/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ERCC5 P28715 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
SCHEMBL11027064 0.84 CES2 (0.49) POLBMEN1KMT2AALDH1A1
SCHEMBL9799924 0.83 L3MBTL1 (0.43) TDP1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL11040229 0.83 L3MBTL1 (0.43) TDP1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9799689 0.83 L3MBTL1 (0.43) PARP1TDP1SMN1; SMN2POLBKMT2A
SCHEMBL9799565 0.81 MAPT (0.40) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL9799575 0.76 PLOD2 (0.41) SMN1; SMN2POLBKMT2ANPC1PKM
SCHEMBL11038316 0.76 PLOD2 (0.41) SMN1; SMN2POLBKMT2ANPC1PKM
SCHEMBL9799949 0.73 L3MBTL1 (0.42) PARP1TDP1SMN1; SMN2POLBKMT2A
SCHEMBL9799587 0.72 PARP1 (0.44) PARP1SMN1; SMN2MEN1KMT2AGRIN2B
SCHEMBL9799583 0.72 PARP1 (0.44) PARP1SMN1; SMN2MEN1KMT2AGRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed