SCHEMBL11041709

SCHEMBL11041709

O=C(Nc1ccccc1)Nc1ccc(NNC(=O)c2ccccc2I)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ GAA P10253 4/20 0.53
▸ POLB P06746 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ EPHX1 P07099 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ ALOX12 P18054 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL21261424 0.81 GAA (0.71) KMT2AMEN1TDP1MAOAMAOB
Benodanil SCHEMBL18736 0.80 MEN1 (1.00) KMT2AMEN1TDP1ALDH1A1GAA
Benodanil SCHEMBL29402073 0.80 MEN1 (1.00) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL10906039 0.79 PTGS2 (0.79) KMT2AMEN1TDP1MAOAMAOB
SCHEMBL31202807 0.78 RXFP1 (0.55) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL11047148 0.77 MAOA (0.63) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL28496803 0.76 MEN1 (0.77) KMT2AMEN1TDP1MAOAMAOB
Benodanil SCHEMBL9722166 0.76 MEN1 (0.89) KMT2AMEN1TDP1ALDH1A1POLB
SCHEMBL13648229 0.74 SMN1; SMN2 (0.70) KMT2AMEN1TDP1MAOAMAOB
SCHEMBL11059378 0.74 SMN1; SMN2 (0.94) KMT2AMEN1MAOAMAOBPOLB

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
US-4481285-A IMPROVED SHAPPNESS AND EDGE EFFECTS FUJI PHOTO FILM CO., LTD. (JP) 1984-11-06 — — US disclosed
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