SCHEMBL11428587

SCHEMBL11428587

Cn1cc(-c2ccc(F)cc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
NR3C1 P04150 1/20 0.43
BRD9 Q9H8M2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TGFBR1 P36897 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
SCN9A Q15858 1/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CHRM3 P20309 1/20 0.38
NPY5R Q15761 1/20 0.38
DHODH Q02127 1/20 0.38
MAOB P27338 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
SCHEMBL11426704 0.92 BRD9 (0.43) PGRBRD9AKR1C3AKR1C2TGFBR1
SCHEMBL11433951 0.92 BRD9 (0.46) PGRBRD9MAPTAKR1C3AKR1C2
SCHEMBL11435975 0.90 BRD9 (0.42) BRD9AKR1C3AKR1C2TGFBR1ALOX15
Fluridone SCHEMBL6751451 0.90 BRD9 (0.43) BRD9MAPTAKR1C3AKR1C2TGFBR1
Fluridone SCHEMBL54579 0.90 BRD9 (0.43) BRD9MAPTAKR1C3AKR1C2TGFBR1
SCHEMBL11434477 0.89 MAPT (0.45) PGRBRD9MAPTTGFBR1PARP10
SCHEMBL11442564 0.88 KDM4E (0.42) PGRBRD9AKR1C3AKR1C2TGFBR1
SCHEMBL11441223 0.88 ALOX15 (0.44) PGRBRD9MAPTMAPK1AKR1C3
SCHEMBL11178917 0.88 NPC1 (0.44) PGRBRD9MAPTTGFBR1PARP10
SCHEMBL11428028 0.86 NR1H4 (0.49) MAPTAKR1C3AKR1C2ALOX12TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4235619-A USING 3-PHENYL-4(1H)-PYRIDONES OR PYRIDINETHIONES ELI LILLY AND COMPANY (US) 1980-11-25 US claimed
US-4152136-A HERBICIDES ELI LILLY AND COMPANY (US) 1979-05-01 US claimed
US-4235619-A USING 3-PHENYL-4(1H)-PYRIDONES OR PYRIDINETHIONES ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
US-4152136-A HERBICIDES ELI LILLY AND COMPANY (US) 1979-05-01 US disclosed
US-4102669-A IN COTTON CULTURE ELI LILLY AND COMPANY (US) 1978-07-25 US disclosed
US-4065290-A Herbicidal β-phenyl-4-piperidinones ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed