SCHEMBL2860020

SCHEMBL2860020

COc1ccccc1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
KCNMA1 Q12791 1/20 0.51
HIF1A Q16665 1/20 0.51
KMT2A Q03164 1/20 0.49
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2856049 0.86 ATM (0.53) KDM4ESCN5ASCN9AMAPTSMN1; SMN2
SCHEMBL2859981 0.82 KDM4E (0.50) KDM4EKCNMA1KMT2AMAPTSMN1; SMN2
SCHEMBL2856664 0.80 CYP1A2 (0.55) KDM4EKMT2AMAPTSMN1; SMN2THRB
SCHEMBL2857721 0.80 ALDH1A1 (0.52) KDM4EKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2858063 0.79 MAPT (0.57) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2856134 0.78 RAB9A (0.60) KDM4EKMT2ASCN9AMAPTSMN1; SMN2
SCHEMBL2850019 0.78 ROCK2 (0.46) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL2859050 0.77 PTGS1 (0.46) KDM4EHIF1AKMT2AMAPTSMN1; SMN2
SCHEMBL2859651 0.77 MAPT (0.46) KDM4EKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2854169 0.76 MAPT (0.56) KDM4EKMT2AMAPTSMN1; 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 disclosed