SCHEMBL2850427

SCHEMBL2850427

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 7/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TRPV1 Q8NER1 2/20 0.42
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 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
SCHEMBL2863326 0.92 TP53 (0.53) SMN1; SMN2ALDH1A1HTTTP53THRB
SCHEMBL2854686 0.91 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTTP53MEN1
SCHEMBL2856388 0.91 TRPV1 (0.51) SMN1; SMN2ALDH1A1HTTTP53THRB
SCHEMBL2848518 0.90 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL2862835 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL2850129 0.83 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HTTKMT2AKDM4E
SCHEMBL2857977 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL2852370 0.81 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL2850346 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HTTTP53MEN1
SCHEMBL2861682 0.81 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HTTTP53MEN1

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