SCHEMBL14508043

SCHEMBL14508043

NC(=O)c1cccc(-c2ccc(C(=O)N3CCOCC3)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.71
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
RAB9A P51151 1/20 0.65
ERN1 O75460 2/20 0.59
AOC3 Q16853 2/20 0.57
JAK2 O60674 3/20 0.55
TSHR P16473 1/20 0.54
ALDH1A1 P00352 1/20 0.53
PHGDH O43175 1/20 0.52
PLK4 O00444 1/20 0.52
MAP4K4 O95819 1/20 0.52
ROS1 P08922 1/20 0.52
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52
MARK3 P27448 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
CLK2 P49760 1/20 0.52

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
SCHEMBL4248924 0.88 HPGD (0.73) HPGDMEN1KMT2ARAB9AERN1
SCHEMBL3227656 0.86 MEN1 (0.63) HPGDMEN1KMT2ARAB9AERN1
SCHEMBL7222464 0.85 HPGD (0.78) HPGDMEN1KMT2ARAB9AERN1
SCHEMBL3722032 0.83 KMO (0.58) HPGDMEN1KMT2ARAB9AAOC3
SCHEMBL28860346 0.83 HPGD (1.00) HPGDMEN1KMT2ARAB9AERN1
SCHEMBL8150805 0.82 HPGD (0.76) HPGDMEN1KMT2ARAB9ATSHR
SCHEMBL2999369 0.82 PHGDH (0.69) HPGDKMT2ATSHRALDH1A1PHGDH
SCHEMBL13952065 0.82 HPGD (0.65) HPGDMEN1KMT2ARAB9AERN1
SCHEMBL5943950 0.82 HPGD (0.72) HPGDMEN1KMT2ARAB9AERN1
SCHEMBL13702408 0.80 HPGD (0.62) HPGDMEN1KMT2ARAB9AERN1

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
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed