SCHEMBL10824170

SCHEMBL10824170

O=[N+]([O-])N(C(F)(F)F)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3G Q9HC16 1/20 0.47
▸ NR1H3 Q13133 4/20 0.41
▸ NR1H2 P55055 3/20 0.41
▸ RORC P51449 2/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NR1I2 O75469 2/20 0.37
▸ RORA P35398 1/20 0.36
▸ RORB Q92753 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL6552604 0.75 APOBEC3G (0.50) APOBEC3GKMT2AHSD11B1PKM
SCHEMBL2512045 0.72 APOBEC3G (0.58) APOBEC3GNR1H3NR1H2RORCKMT2A
SCHEMBL5810584 0.72 APOBEC3G (0.47) APOBEC3GKMT2APKM
SCHEMBL10336123 0.72 APOBEC3G (0.47) APOBEC3GKMT2APKM
SCHEMBL6393197 0.70 ALDH1A1 (0.49) APOBEC3GKMT2APKM
SCHEMBL1768495 0.69 APOBEC3G (0.54) APOBEC3GNR1H3NR1H2RORCKMT2A
SCHEMBL27794695 0.69 APOBEC3G (0.54) APOBEC3GNR1H3NR1H2RORCKMT2A
SCHEMBL1868116 0.69 APOBEC3G (0.54) APOBEC3GNR1H3NR1H2RORCKMT2A
SCHEMBL5883809 0.69 APOBEC3G (0.44) APOBEC3GKMT2AHSD11B1PKM
SCHEMBL6917666 0.68 NR1H3 (0.69) APOBEC3GNR1H3NR1H2RORCPKM

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
JP-61053263-A — — None — — JP disclosed
JP-S6153263-A 2-TRIFLUOROMETHYLTRYPTAMINE AND ITS PREPARATION TOYO SODA MFG CO LTD 1986-03-17 — — JP disclosed
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