SCHEMBL5604700

SCHEMBL5604700

O=[N+]([O-])c1cc2c(I)nn(C3CCCCO3)c2cc1N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.40
MAPT P10636 8/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 4/20 0.38
LMNA P02545 3/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.37

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 0.92 ALDH1A1 (0.43) ALDH1A1MAPTHTTCYP1A2CYP2C19
SCHEMBL5593784 0.86 MAPT (0.44) ALDH1A1MAPTHTTCYP1A2CYP2C19
SCHEMBL5593656 0.84 KMT2A (0.36) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL5593876 0.84 CYP1A2 (0.35) ALDH1A1MAPTHTTCYP1A2SMN1; SMN2
SCHEMBL5593628 0.83 IP6K1 (0.36) ALDH1A1GAALMNAL3MBTL1POLB
SCHEMBL1026761 0.82 KMT2A (0.36) ALDH1A1MAPTHTTCYP1A2CYP2C19
SCHEMBL31475214 0.77 CYP1A2 (0.39) ALDH1A1MAPTCYP1A2HSP90AA1SMN1; SMN2
SCHEMBL28686145 0.77 SIRT2 (0.40) ALDH1A1MAPTCYP1A2LMNASMN1; SMN2
SCHEMBL29643977 0.77 SIRT2 (0.40) ALDH1A1MAPTCYP1A2LMNASMN1; SMN2
SCHEMBL4048725 0.77 CYP1A2 (0.39) ALDH1A1MAPTCYP1A2HSP90AA1SMN1; SMN2

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