SCHEMBL10685684

SCHEMBL10685684

O=C1Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.50
▸ CMA1 P23946 2/20 0.50
▸ EIF2AK2 P19525 1/20 0.49
▸ TDP2 O95551 2/20 0.48
▸ KIF11 P52732 5/20 0.47
▸ CRBN Q96SW2 2/20 0.46
▸ PDK2 Q15119 1/20 0.43
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ PGR P06401 2/20 0.40
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL3224720 0.83 TDP2 (0.66) AHRCMA1EIF2AK2TDP2KIF11
SCHEMBL6125101 0.77 AHR (0.56) AHRCMA1EIF2AK2TDP2KIF11
SCHEMBL11242330 0.74 MAOB (0.58) KIF11NR1H2NR1H3PGR
SCHEMBL10060231 0.72 AHR (0.50) AHRCMA1EIF2AK2TDP2KIF11
SCHEMBL11367671 0.72 KIF11 (0.52) KIF11NR1H2NR1H3
SCHEMBL11243199 0.72 HDAC1 (0.45) KIF11NR1H2NR1H3PGR
SCHEMBL260027 0.71 AHR (0.61) AHRCMA1EIF2AK2TDP2CRBN
SCHEMBL31478025 0.71 AHR (0.61) AHRCMA1EIF2AK2TDP2CRBN
SCHEMBL30648196 0.71 AHR (0.61) AHRCMA1EIF2AK2TDP2CRBN
SCHEMBL1833499 0.71 AHR (0.61) AHRCMA1EIF2AK2TDP2CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727180-A SIDE EFFECT REDUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-23 — — US disclosed
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