SCHEMBL27686342

SCHEMBL27686342

O=C1SCC(c2ccccc2)N1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GFER P55789 2/20 0.40
KMT2A Q03164 3/20 0.39
MITF O75030 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
PAX8 Q06710 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTGS1 P23219 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
SCHEMBL11183414 0.81 SMN1; SMN2 (0.41) ALDH1A1GFERKMT2AMITFTDP1
SCHEMBL11400689 0.76 KMT2A (0.40) ALDH1A1KMT2AMITFTDP1CYP1A2
SCHEMBL10587774 0.76 KIF11 (0.41) ALDH1A1GFERKMT2ANPSR1SMN1; SMN2
SCHEMBL523273 0.73 ESR1 (0.62) ALDH1A1GFERKMT2ATDP1NPSR1
SCHEMBL6076752 0.71 LMNA (0.43) ALDH1A1GFERKMT2AMITFTDP1
SCHEMBL4553559 0.70 QPCT (0.51) ALDH1A1KMT2ANPSR1SMN1; SMN2CYP1A2
SCHEMBL3739324 0.70 HDAC6 (0.54)
SCHEMBL6077778 0.70 KMT2A (0.37) ALDH1A1KMT2AMITFTDP1SMN1; SMN2
SCHEMBL21430774 0.69 MITF (0.45) ALDH1A1KMT2AMITFTDP1NPSR1
SCHEMBL5431723 0.69 QPCT (0.51)

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
CN-101132760-A Agent and method for colouring keratin fibres PROCTER & GAMBLE (US) 2008-02-27 CN claimed
CN-101132760-A Agent and method for colouring keratin fibres PROCTER & GAMBLE (US) 2008-02-27 CN disclosed