SCHEMBL4837100

SCHEMBL4837100

O=C(Nc1ccccc1C(F)(F)F)Nc1cccc(C(=O)O)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.68
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
TAS2R14 Q9NYV8 2/20 0.52
CLCN2 P51788 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
FABP4 P15090 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.49
THRB P10828 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
SCHEMBL1462231 0.87 GRIK1 (0.72) GRIK1KDM4EMEN1KMT2ATAS2R14
SCHEMBL6438520 0.81 GRIK1 (0.81) GRIK1KDM4EMEN1KMT2ATRPV1
SCHEMBL3962623 0.81 GRIK1 (1.00) GRIK1MEN1KMT2A
SCHEMBL422330 0.78 TSHR (0.57) GRIK1MEN1KMT2APDK1PDK2
SCHEMBL7820305 0.78 SMN1; SMN2 (0.70) GRIK1KDM4EMEN1KMT2ATAS2R14
SCHEMBL7759976 0.77 MEN1 (0.68) GRIK1KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2990630 0.77 TSHR (0.55) GRIK1MEN1KMT2APDK1PDK2
SCHEMBL6439621 0.77 GRIK1 (0.63) GRIK1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6440417 0.76 GRIK1 (0.62) GRIK1KDM4EMEN1KMT2ATAS2R14
SCHEMBL27704223 0.75 RXFP1 (0.56) KDM4EMEN1KMT2ASMN1; SMN2POLB

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
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed