SCHEMBL8689405

SCHEMBL8689405

O=C(CNc1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
GAA P10253 2/20 0.53
TAS2R14 Q9NYV8 2/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
FABP4 P15090 1/20 0.51
GRIK1 P39086 1/20 0.51
RBP4 P02753 2/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AGTR1 P30556 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL8691586 0.85 ALDH1A1 (0.70) POLBGAAKMT2AALDH1A1RBP4
SCHEMBL6719470 0.84 ALDH1A1 (0.57) POLBGAAKMT2AALDH1A1MEN1
SCHEMBL8818735 0.84 POLB (0.47) POLBGAAKMT2AALDH1A1MEN1
SCHEMBL6719474 0.81 POLB (0.62) POLBGAAKMT2AALDH1A1MEN1
SCHEMBL8689403 0.81 ALDH1A1 (0.59) POLBKMT2AALDH1A1MEN1GRIK1
SCHEMBL8688769 0.81 TRPA1 (0.55) POLBTAS2R14KMT2AALDH1A1MEN1
SCHEMBL8691649 0.81 ALDH1A1 (0.55) POLBGAAKMT2AALDH1A1MEN1
SCHEMBL27546648 0.81 GAA (0.65) POLBGAATAS2R14KMT2AALDH1A1
SCHEMBL1462231 0.81 GRIK1 (0.72) POLBGAATAS2R14KMT2AALDH1A1
SCHEMBL2627998 0.79 KMT2A (0.59) POLBKMT2AALDH1A1MEN1FABP4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US claimed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO claimed
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed