SCHEMBL11686558

SCHEMBL11686558

CC(=O)Nc1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
GALR3 O60755 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.43
RORC P51449 1/20 0.43
LMNA P02545 5/20 0.43
CYP1A2 P05177 2/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 2/20 0.42
AR P10275 2/20 0.42
CES2 O00748 1/20 0.42
ABCB11 O95342 1/20 0.42
GLA P06280 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL11855622 0.90 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1HTTGALR3
SCHEMBL7224291 0.85 KMT2A (0.59) SMN1; SMN2KMT2AMEN1HTTGALR3
SCHEMBL14263849 0.83 CYP3A4 (0.43) SMN1; SMN2KMT2AMEN1HTTGALR3
SCHEMBL10530174 0.80 LMNA (0.57) SMN1; SMN2KMT2AMEN1HTTL3MBTL1
SCHEMBL30508352 0.80 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1HTTMAPT
SCHEMBL6811979 0.80 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1HTTMAPT
SCHEMBL1285715 0.79 AR (0.44) SMN1; SMN2HTTMAPTALDH1A1LMNA
SCHEMBL8466527 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL19814165 0.78 ALDH1A1 (0.55) SMN1; SMN2KMT2AMEN1HTTMAPT
SCHEMBL1270981 0.78 AR (0.43) SMN1; SMN2KMT2AMEN1HTTL3MBTL1

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-4005199-A Substituted benzenesulfonamides as anthelmintics MERCK & CO., INC. (US) 1977-01-25 US disclosed
US-3987199-A PARASITICIDES MERCK & CO., INC. (US) 1976-10-19 US disclosed