SCHEMBL9770427

SCHEMBL9770427

CN(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.41
NR1H2 P55055 2/20 0.41
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TAAR1 Q96RJ0 2/20 0.34
POLQ O75417 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HTT P42858 1/20 0.33
PDK2 Q15119 1/20 0.33
RORC P51449 1/20 0.32
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28131828 0.88 NR1H3 (0.44) NR1H3NR1H2CA12CA2CA9
SCHEMBL6258041 0.79 CA12 (0.42) NR1H3NR1H2CA12CA2CA9
SCHEMBL10159871 0.73 CA12 (0.44) NR1H3NR1H2CA12CA2CA9
SCHEMBL16104766 0.72 S100B (0.33)
SCHEMBL11556871 0.69 MEN1 (0.41) NR1H3NR1H2CA12CA2CA9
SCHEMBL6699279 0.69 TAAR1 (0.45) CA12CA2CA9TAAR1MEN1
SCHEMBL6792995 0.69 MEN1 (0.37) NR1H3NR1H2CA12CA2CA9
SCHEMBL22537753 0.68 CA12 (0.37) NR1H3NR1H2CA12CA2CA9
SCHEMBL5716569 0.68 CA12 (0.47) NR1H3NR1H2CA12CA2CA9
SCHEMBL4892428 0.67 CA12 (0.43) NR1H3NR1H2CA12CA2CA9

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-5051330-A For image development EASTMAN KODAK COMPANY (US) 1991-09-24 US disclosed