SCHEMBL2854367

SCHEMBL2854367

COc1ccc(-n2ncc(C(=O)NC3CCCC3)c2C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.56
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HSD11B1 P28845 2/20 0.52
LMNA P02545 1/20 0.48
MAPT P10636 3/20 0.46
GFER P55789 1/20 0.46
TP53 P04637 2/20 0.46
CNR1 P21554 2/20 0.45
DDR1 Q08345 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
DDR2 Q16832 1/20 0.45

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
SCHEMBL10364511 0.96 HSD11B1 (0.53) SPRALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL2860624 0.87 SPR (0.57) SPRALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL2851938 0.86 SPR (0.56) SPRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2852540 0.85 KDM4E (0.66) SPRALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL2853087 0.84 MAPK11 (0.53) ALDH1A1KDM4EHSD11B1LMNAMAPT
SCHEMBL10364638 0.83 NPC1 (0.59) SPRALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL10367050 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDKMT2A
SCHEMBL2852972 0.82 SPR (0.52) SPRALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL10366974 0.81 HSD11B1 (0.56) SPRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2856953 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2HPGDKMT2A

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