SCHEMBL177178

SCHEMBL177178

COc1nn(C(=O)O)c2cc(OCCN(Cc3ccccc3)CC(O)c3ccc(Cl)c(N)c3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
NR1H3 Q13133 6/20 0.40
HCRTR2 O43614 6/20 0.38
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.33
DRD4 P21917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G10 O15496 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL2239951 0.92 ATM (0.37) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL2239948 0.92 ATM (0.37) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL177335 0.91 ATM (0.41) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL12080866 0.91 ATM (0.41) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL177347 0.89 ATM (0.38) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL3337661 0.83 ATM (0.39) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL2306925 0.83 ATM (0.39) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL177355 0.83 HCRTR2 (0.47) ATMNR1H3HCRTR2MAOBTSHR
SCHEMBL176720 0.83 ATM (0.38) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL2240547 0.83 ATM (0.38) ATMNR1H3HCRTR2MAOBMEN1

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-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed