SCHEMBL177335

SCHEMBL177335

Cc1nn(C(=O)O)c2cc(OCCN(Cc3ccccc3)CC(O)c3ccc(Cl)c(N)c3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
NR1H3 Q13133 2/20 0.37
SLC22A12 Q96S37 2/20 0.37
MAOB P27338 1/20 0.36
HCRTR2 O43614 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD4 P21917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PLA2G2A P14555 3/20 0.34
KCNH2 Q12809 1/20 0.34
PDE2A O00408 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL12080866 0.92 ATM (0.41) ATMNR1H3MAOBHCRTR2MEN1
SCHEMBL2240547 0.91 ATM (0.38) ATMNR1H3SLC22A12MAOBHCRTR2
SCHEMBL176720 0.91 ATM (0.38) ATMNR1H3SLC22A12MAOBHCRTR2
SCHEMBL177178 0.91 ATM (0.40) ATMNR1H3MAOBHCRTR2MEN1
SCHEMBL2240314 0.88 ATM (0.39) ATMNR1H3SLC22A12MAOBHCRTR2
SCHEMBL176906 0.88 ATM (0.39) ATMNR1H3SLC22A12MAOBHCRTR2
SCHEMBL2306925 0.85 ATM (0.39) ATMNR1H3MAOBHCRTR2MEN1
SCHEMBL3337661 0.85 ATM (0.39) ATMNR1H3MAOBHCRTR2MEN1
SCHEMBL2239951 0.83 ATM (0.37) ATMNR1H3MAOBHCRTR2MEN1
SCHEMBL11897328 0.83 ATM (0.37) ATMNR1H3MAOBHCRTR2MEN1

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