SCHEMBL470187

SCHEMBL470187

Bc1cc([N+](=O)[O-])c2c(F)n[nH]c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ MAPT P10636 7/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CYP3A4 P08684 4/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIK1 P39086 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 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
SCHEMBL1250100 0.81 AKR1B1 (0.38) ALDH1A1PIM1MAPTHPGDCASP6
SCHEMBL9941730 0.74 NOS1 (0.49) ALDH1A1MAPTHPGDCASP6CYP3A4
SCHEMBL30811696 0.72 CYP3A4 (0.40) ALDH1A1MAPTHPGDCYP3A4LMNA
SCHEMBL2215478 0.72 TDO2 (0.46) PIM1PIM3NOS1
SCHEMBL30856168 0.72 CYP1A2 (0.47) ALDH1A1PIM1MAPTHPGDCYP3A4
SCHEMBL22655651 0.66 MAPT (0.39) ALDH1A1MAPTCYP3A4CYP1A2TSHR
SCHEMBL3370857 0.65 MAPT (0.61) ALDH1A1HIF1AMAPTHPGDCYP3A4
SCHEMBL2595091 0.65 MAPT (0.50) ALDH1A1HIF1AMAPTHPGDCYP3A4
SCHEMBL16681282 0.63 MAPT (0.53) ALDH1A1HIF1AMAPTHPGDCYP3A4
SCHEMBL31437655 0.62 MAPT (0.38) ALDH1A1PIM1MAPTHPGDCYP3A4

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-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 — — WO disclosed
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