SCHEMBL4667531

SCHEMBL4667531

CCc1cccc(-c2cc(Nc3ccc(F)cc3C(=O)OC)n(-c3ncccc3C)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
DHODH Q02127 2/20 0.34
F2 P00734 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PLA2G2A P14555 1/20 0.34
BDKRB1 P46663 1/20 0.34
ADORA1 P30542 1/20 0.33
AOC3 Q16853 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
SCHEMBL14600248 0.93 DHODH (0.38) NTRK1LMNATP53MAPTDHODH
SCHEMBL14600468 0.85 DHODH (0.40) LMNATP53MAPTDHODHALDH1A1
SCHEMBL4668579 0.85 F2 (0.35) NTRK1LMNATP53MAPTF2
SCHEMBL14600465 0.84 DHODH (0.46) TP53MAPTDHODHADORA1
SCHEMBL14600717 0.84 ADORA1 (0.43) LMNATP53MAPTDHODHALDH1A1
SCHEMBL14600722 0.83 SORT1 (0.41) LMNATP53MAPTDHODHALDH1A1
SCHEMBL14600466 0.83 ADORA1 (0.42) LMNATP53MAPTDHODHALDH1A1
SCHEMBL14600467 0.83 DHODH (0.41) TP53DHODHADORA1
SCHEMBL14600214 0.82 DHODH (0.44) NTRK1LMNADHODHALDH1A1
SCHEMBL14600469 0.82 NTRK1 (0.44) NTRK1DHODHF2

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