SCHEMBL4668579

SCHEMBL4668579

CCc1cccc(-c2cc(Nc3ccc(F)cc3C(=O)OC)n(-c3c(C)cncc3C)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
CHRM3 P20309 1/20 0.35
PLA2G2A P14555 1/20 0.35
PDE4B Q07343 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GRIN2B Q13224 2/20 0.33
MAPT P10636 2/20 0.33
NTRK1 P04629 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4668419 0.92 FABP3 (0.39) F2LMNAPDE4BMAPTTP53
SCHEMBL4665751 0.90 HPGD (0.43) KDM4EALDH1A1HPGDL3MBTL1MAPK1
SCHEMBL4667531 0.85 NTRK1 (0.37) F2KDM4EALDH1A1LMNACHRM3
SCHEMBL4668570 0.83 GFER (0.42) KDM4EL3MBTL1MAPK1LMNAPDE4B
Hydrochloric Acid SCHEMBL4669539 0.82 GFER (0.41) KDM4EL3MBTL1MAPK1LMNAPDE4B
SCHEMBL14600212 0.80 KDM4C (0.38) F2KDM4EALDH1A1LMNAMAPT
SCHEMBL14600486 0.78 PDE4B (0.43) KDM4EHPGDL3MBTL1MAPK1LMNA
SCHEMBL4668988 0.78 DHODH (0.49) LMNAMAPTTP53
SCHEMBL14600248 0.77 DHODH (0.38) LMNAMAPTNTRK1TP53
SCHEMBL4666599 0.77 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT

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-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed