SCHEMBL28793945

SCHEMBL28793945

O=Cc1cc(C(=O)O)nn1-c1ccc(P(=O)(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PPP1CA P62136 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYTH3 O43739 1/20 0.36
BTK Q06187 1/20 0.36
EPN1 Q9Y6I3 1/20 0.36

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
SCHEMBL27864263 0.82 RPA1 (0.49) RPA1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL27520726 0.82 RPA1 (0.59) RPA1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL27868554 0.80 MAPT (0.38) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL27864272 0.80 RPA1 (0.45) RPA1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL27522939 0.69 MAPT (0.63) RPA1KMT2AMEN1ALDH1A1PPP1CA
SCHEMBL27411918 0.69 CA1 (0.47) RPA1ALDH1A1PPP1CA
SCHEMBL27864284 0.68 PTGER1 (0.43) RPA1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL27868556 0.67 GAA (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7428175 0.65 HCAR2 (0.40) RPA1SMN1; SMN2ALDH1A1PPP1CAATM
SCHEMBL27864404 0.65 AKR1C3 (0.39) RPA1SMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102405036-B Keratin dyeing compositions comprising free radical scavengers and uses thereof PROCTER & GAMBLE 2013-09-18 CN claimed
CN-102405036-A Keratin dyeing compositions comprising free radical scavengers and uses thereof PROCTER & GAMBLE 2012-04-04 CN claimed
CN-102405036-B Keratin dyeing compositions comprising free radical scavengers and uses thereof PROCTER & GAMBLE 2013-09-18 CN disclosed
CN-102405036-A Keratin dyeing compositions comprising free radical scavengers and uses thereof PROCTER & GAMBLE 2012-04-04 CN disclosed