SCHEMBL11439976

SCHEMBL11439976

Cc1ccc(-c2cn(C)cc(-c3cccc(C(F)(F)F)c3)c2=O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 1/20 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
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ SLC11A2 P49281 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37

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
SCHEMBL11428824 0.89 KCNA3 (0.41) KCNA3BRD9KDM4ETGFBR1SLC11A2
SCHEMBL11433951 0.87 BRD9 (0.46) KCNA3BRD9KDM4ETGFBR1PARP10
SCHEMBL11442564 0.86 KDM4E (0.42) BRD9KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL11547968 0.86 BRD9 (0.42) KCNA3BRD9KDM4EMEN1ALDH1A1
SCHEMBL31295875 0.86 BRD9 (0.42) KCNA3BRD9KDM4EMEN1ALDH1A1
SCHEMBL11434477 0.85 MAPT (0.45) KCNA3BRD9KDM4ECYP1A2CYP2C19
SCHEMBL11435071 0.85 BRD9 (0.44) BRD9KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL11426704 0.84 BRD9 (0.43) BRD9KDM4ETGFBR1PARP10PARP11
SCHEMBL11425957 0.84 KCNA3 (0.43) KCNA3BRD9KDM4ETGFBR1MAPK14
SCHEMBL11428480 0.84 MAOB (0.41) BRD9KDM4EMEN1ALDH1A1CYP1A2

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-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
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