SCHEMBL5593774

SCHEMBL5593774

CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(C=Cc2cccc(C=O)c2)nn3C2CCCCO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPT P10636 7/20 0.37
ALDH1A1 P00352 6/20 0.37
ALDH1A3 P47895 1/20 0.37
ATR Q13535 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 5/20 0.35
PKM P14618 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 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
SCHEMBL5605093 0.79 ALDH1A1 (0.43) MAPTALDH1A1ATRSMN1; SMN2CYP1A2
SCHEMBL5604700 0.72 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5593784 0.70 MAPT (0.44) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5593679 0.69 AURKA (0.36) AURKAAURKBMAPTALDH1A1ATR
SCHEMBL5593675 0.68 MAPT (0.36) AURKAAURKBMAPTALDH1A1ATR
SCHEMBL5594186 0.68 AURKA (0.38) AURKAAURKBATR
SCHEMBL5594285 0.67 CYP4F2 (0.36) MAPTALDH1A1ATRCYP1A2CYP2C9
SCHEMBL20247111 0.67 FGFR4 (0.38) AURKA
SCHEMBL12821556 0.67 CYP1A2 (0.38) MAPTALDH1A1SMN1; SMN2CYP1A2LMNA
SCHEMBL30804956 0.67 CYP1A2 (0.38) MAPTALDH1A1SMN1; SMN2CYP1A2LMNA

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