SCHEMBL1960188

SCHEMBL1960188

O=[N+]([O-])c1cccc2nn(C3CCCCO3)c(Br)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
WNK1 Q9H4A3 2/20 0.32
GRM2 Q14416 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL25972655 0.76 FGFR1 (0.37) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL113156 0.75 POLB (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL31586213 0.72 RET (0.36) ALDH1A1POLBCYP1A2
SCHEMBL22235822 0.72 GAA (0.36) ALDH1A1KMT2APOLBHPGDGAA
SCHEMBL165273 0.71 RXRA (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2571450 0.70 CYP4F2 (0.33) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL22235827 0.69 DGAT2 (0.34) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL320891 0.69 ALDH1A1 (0.42) EGFRALDH1A1MAPTMEN1KMT2A
SCHEMBL29258348 0.67 L3MBTL1 (0.37) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL458489 0.67 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507231-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed