SCHEMBL2856352

SCHEMBL2856352

COc1ccc(CNC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2C(F)(F)F)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.56
KLKB1 P03952 1/20 0.51
PDE4B Q07343 1/20 0.50
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.45
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
TRPC3 Q13507 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2850896 0.92 DGAT2 (0.57) DGAT2KLKB1PDE4BTAS1R3TAS1R1
SCHEMBL2853175 0.86 KLKB1 (0.43) DGAT2KLKB1PDE4BTAS1R3TAS1R1
SCHEMBL2850370 0.84 DGAT2 (0.55) DGAT2KLKB1PDE4BTAS1R3TAS1R1
SCHEMBL2856282 0.82 DGAT2 (0.54) DGAT2KLKB1PDE4BTAS1R3TAS1R1
SCHEMBL2852021 0.81 DGAT2 (0.51) DGAT2KLKB1PDE4BTAS1R3TAS1R1
SCHEMBL2857426 0.80 CCR1 (0.55) DGAT2ALDH1A1NPSR1TSHRHPGD
SCHEMBL2855701 0.78 CCR1 (0.54) DGAT2ALDH1A1KDM4ETRPC3
SCHEMBL2853809 0.78 P2RX7 (0.49) DGAT2KLKB1PDE4BTAS1R3TAS1R1
SCHEMBL10366447 0.78 TRPC3 (0.62) DGAT2ALDH1A1NPSR1HPGDPKM
SCHEMBL2850316 0.78 TP53 (0.59) DGAT2ALDH1A1NPSR1HPGDHTT

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