SCHEMBL2854686

SCHEMBL2854686

O=C(NCc1ccc2c(c1)OCO2)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
TRPV1 Q8NER1 2/20 0.46
POLB P06746 1/20 0.45
P2RX7 Q99572 1/20 0.44
TP53 P04637 1/20 0.44
CRHBP P24387 1/20 0.44
RECQL P46063 1/20 0.44
CRHR2 Q13324 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 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
SCHEMBL2856388 0.93 TRPV1 (0.51) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL2848518 0.92 ALDH1A1 (0.58) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPK1
SCHEMBL2850427 0.91 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL2863326 0.91 TP53 (0.53) SMN1; SMN2ALDH1A1HTTKMT2ATP53
SCHEMBL2862835 0.89 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTKMT2ARAB9A
SCHEMBL2851002 0.87 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPK1
SCHEMBL2850129 0.86 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HTTMAPK1KMT2A
SCHEMBL2852370 0.83 ALDH1A1 (0.52) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPK1
SCHEMBL2857977 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HTTMAPK1KMT2A
SCHEMBL2852241 0.83 MAPK1 (0.53) SMN1; SMN2MAPK1P2RX7TSHR

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