SCHEMBL2693726

SCHEMBL2693726

C/C(=N/N)c1ccc(O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
CES2 O00748 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
TSHR P16473 1/20 0.47
HSP90AB1 P08238 1/20 0.46
GFER P55789 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
STAT3 P40763 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL2314678 1.00 MAPT (0.54) MAPTKDM4ECES2ALDH1A1CA12
SCHEMBL2704158 0.83 ESR1 (0.50) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL16476581 0.83 ESR1 (0.50) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL2315055 0.83 ESR1 (0.50) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL2316293 0.81 ALDH1A1 (0.61) MAPTKDM4EALDH1A1TSHRLMNA
SCHEMBL1656386 0.81 ESR1 (0.56) MAPTKDM4ECES2ALDH1A1CA12
SCHEMBL3859431 0.81 ESR1 (0.56) MAPTKDM4ECES2ALDH1A1CA12
SCHEMBL1656388 0.81 ESR1 (0.56) MAPTKDM4ECES2ALDH1A1CA12
SCHEMBL2695442 0.74 KMT2A (0.68) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL15053133 0.74 KMT2A (0.68) MAPTKDM4EALDH1A1CA12CA1

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-2402081-A1 AMMONIA DECOMPOSITION CATALYST Hitachi Zosen Corporation (JP) 2012-01-04 EP disclosed
WO-2010098245-A1 AMMONIA DECOMPOSITION CATALYST 日立造船株式会社 (JP) 2010-09-02 WO disclosed