SCHEMBL177347

SCHEMBL177347

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
NR1H3 Q13133 2/20 0.37
HCRTR2 O43614 5/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAOB P27338 1/20 0.34
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
BMP1 P13497 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 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
SCHEMBL2239879 0.92 MCL1 (0.37) ATMNR1H3HCRTR2BCL2MCL1
SCHEMBL2239875 0.92 MCL1 (0.37) ATMNR1H3HCRTR2BCL2MCL1
SCHEMBL176959 0.92 NR1H3 (0.37) ATMNR1H3HCRTR2ALDH1A1MAOB
SCHEMBL176906 0.92 ATM (0.39) ATMNR1H3HCRTR2ALDH1A1KDM4E
SCHEMBL2240314 0.92 ATM (0.39) ATMNR1H3HCRTR2ALDH1A1KDM4E
SCHEMBL177178 0.89 ATM (0.40) ATMNR1H3HCRTR2ALDH1A1MAOB
SCHEMBL2305486 0.84 MCL1 (0.38) ATMBCL2MCL1
SCHEMBL2305489 0.84 MCL1 (0.38) ATMBCL2MCL1
SCHEMBL2239287 0.84 NR1H3 (0.35) NR1H3HCRTR2MAOBBCL2MCL1
SCHEMBL2239291 0.84 NR1H3 (0.35) NR1H3HCRTR2MAOBBCL2MCL1

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