SCHEMBL2852199

SCHEMBL2852199

O=C(NC1CCCc2ccccc21)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
DHODH Q02127 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2854219 0.94 ALDH1A1 (0.47) KMT2AMEN1MAPK1LMNASMN1; SMN2
SCHEMBL2857660 0.92 LMNA (0.48) KMT2AMEN1DHODHTAS1R3TAS1R1
SCHEMBL2860401 0.88 MAPK13 (0.47) TAS1R3TAS1R1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2856213 0.86 CNR1 (0.47) KMT2ATAS1R3TAS1R1TAS1R2LMNA
SCHEMBL2850250 0.77 EPHX2 (0.43) MAPK1LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL2850487 0.76 HTT (0.48) KMT2AMEN1TAS1R3TAS1R1MAPK1
SCHEMBL3423831 0.76 ALDH1A1 (0.55) DHODHTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL3390180 0.76 ALDH1A1 (0.55) DHODHTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL2850723 0.76 TAOK3 (0.47) KMT2AMEN1DHODHLMNASMN1; SMN2
SCHEMBL2854804 0.73 MAPK1 (0.48) MAPK1SMN1; SMN2ALDH1A1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed