SCHEMBL9811610

SCHEMBL9811610

CC(=O)Nc1ccc(Oc2ccc(NC(C)=O)cc2C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.49
ESRRA P11474 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
POLB P06746 1/20 0.45
RAF1 P04049 1/20 0.45
PLA2G7 Q13093 1/20 0.44
RORC P51449 1/20 0.43

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
SCHEMBL9811644 0.78 ALDH1A1 (0.48) GAASMN1; SMN2ALDH1A1
SCHEMBL24928750 0.75 ESRRA (0.56) ESRRAKMT2AMEN1GAAPKM
SCHEMBL30433457 0.75 ESRRA (0.56) ESRRAKMT2AMEN1GAAPKM
SCHEMBL23795785 0.73 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1RORC
SCHEMBL6516221 0.72 KMT2A (0.73) KMT2AMEN1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL23894756 0.71 SMN1; SMN2 (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL7751896 0.71 ALDH1A1 (0.56) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL14384397 0.70 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL14384837 0.70 TLR8 (0.62) KMT2AMEN1SMN1; SMN2ALDH1A1MTNR1A
Hydrochloric Acid SCHEMBL11633320 0.70 TDP1 (0.56) ESRRAKMT2AMEN1GAAPKM

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-3109362-A None JP disclosed
JP-H03109362-A FLUOROALKYL GROUP-CONTAINING AROMATIC NITROGEN COMPOUND AND PREPARATION THEREOF NIPPON OIL & FATS CO LTD 1991-05-09 JP disclosed