SCHEMBL11178917

SCHEMBL11178917

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
HTT P42858 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
BRD9 Q9H8M2 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL11429556 0.91 MAPT (0.47) RORCRORBHTTCYP1A2CYP3A4
SCHEMBL11426704 0.91 BRD9 (0.43) RORCRORBKDM4EBRD9TGFBR1
SCHEMBL11433951 0.90 BRD9 (0.46) RORCRORBKDM4EMAPTBRD9
SCHEMBL11431587 0.90 MAPT (0.43) RORCRORBHTTCYP1A2CYP3A4
Fluridone SCHEMBL54579 0.89 BRD9 (0.43) NPC1RAB9ARORCRORBLMNA
Fluridone SCHEMBL6751451 0.89 BRD9 (0.43) NPC1RAB9ARORCRORBLMNA
SCHEMBL11436424 0.88 RORB (0.44) RORCRORBMAPTBRD9NPSR1
SCHEMBL11434477 0.88 MAPT (0.45) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL11428587 0.88 PGR (0.43) MAPTBRD9TGFBR1PARP10PARP11
SCHEMBL11436515 0.88 DPP4 (0.43) RORCRORBHTTCYP1A2CYP3A4

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 10 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
EP-0006359-B1 USE OF 1-ALKYL-3-PHENYLPYRIDINIUM SALTS AS HERBICIDES AND HERBICIDAL FORMULATIONS CONTAINING THE SALTS ELI LILLY AND COMPANY (US) 1983-09-28 EP disclosed
US-4235619-A USING 3-PHENYL-4(1H)-PYRIDONES OR PYRIDINETHIONES ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
US-4218238-A Herbicidal 1-alkyl-3-phenylpyridinium salts ELI LILLY AND COMPANY (US) 1980-08-19 US disclosed
EP-0006359-A1 Use of 1-alkyl-3-phenylpyridinium salts as herbicides and herbicidal formulations containing the salts ELI LILLY AND COMPANY (US) 1980-01-09 EP disclosed
US-4174209-A Herbicidal 1-alkyl-3-phenylpyridinium salts ELI LILLY AND COMPANY (US) 1979-11-13 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