SCHEMBL5593784

SCHEMBL5593784

C#Cc1nn(C2CCCCO2)c2cc(N3CCCC3)c([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
ALDH1A1 P00352 9/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 4/20 0.37
LMNA P02545 3/20 0.37
HSP90AA1 P07900 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL5604700 0.86 ALDH1A1 (0.40) MAPTALDH1A1HTTCYP1A2CYP2C19
SCHEMBL5593861 0.83 ATR (0.34) ALDH1A1GAALMNAL3MBTL1POLB
SCHEMBL5605093 0.78 ALDH1A1 (0.43) MAPTALDH1A1HTTCYP1A2CYP2C19
SCHEMBL5594265 0.78 BRPF1 (0.36) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL9951697 0.70 HCAR3 (0.41) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL5593774 0.70 AURKA (0.40) MAPTALDH1A1HTTCYP1A2CYP2C19
SCHEMBL22655613 0.70 MAPT (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2565958 0.70 KMT2A (0.36) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL5593656 0.70 KMT2A (0.36) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL5593876 0.70 CYP1A2 (0.35) MAPTALDH1A1HTTCYP1A2MEN1

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
WO-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO disclosed