SCHEMBL19112729

SCHEMBL19112729

NNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RORC P51449 3/20 0.51
▸ NR1H3 Q13133 11/20 0.50
▸ NR1H2 P55055 10/20 0.50
▸ RORA P35398 2/20 0.46
▸ MLYCD O95822 3/20 0.44
▸ RORB Q92753 1/20 0.44

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
SCHEMBL131990 0.81 NR1H2 (0.68) SMN1; SMN2NR1H3NR1H2MLYCD
SCHEMBL6487024 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RORCNR1H3NR1H2RORA
Water SCHEMBL1684070 0.78 NR1H2 (0.65) SMN1; SMN2NR1H3NR1H2MLYCD
SCHEMBL8462905 0.77 LMNA (0.40) SMN1; SMN2RORC
SCHEMBL378918 0.77 CA1 (0.54) —
SCHEMBL11626027 0.76 SMN1; SMN2 (0.69) SMN1; SMN2RORCRORAMLYCD
SCHEMBL12403856 0.75 SMN1; SMN2 (0.58) SMN1; SMN2RORCNR1H3NR1H2RORA
Bromide SCHEMBL20985051 0.75 CA1 (0.52) —
SCHEMBL289673 0.75 NR1H2 (0.56) SMN1; SMN2NR1H3NR1H2MLYCD
Hydrochloric Acid SCHEMBL1879313 0.75 CA1 (0.52) —

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
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 — — EP disclosed
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