SCHEMBL19495808

SCHEMBL19495808

NNc1ccc(COC(=O)I)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.36
▸ TPSD1 Q9BZJ3 1/20 0.36
▸ TPSG1 Q9NRR2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL17621874 0.83 MAPT (0.40) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL20435047 0.81 ALDH1A1 (0.58) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL19035541 0.81 APP (0.49) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL19496564 0.80 ALDH1A1 (0.42) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL24728555 0.80 MGLL (0.42) KDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL23193237 0.79 ROCK2 (0.45) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL25884564 0.79 TOP2A (0.47) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL27353978 0.79 APP (0.44) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL20420548 0.77 RXFP1 (0.42) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL24966596 0.75 ALDH1A1 (0.64) KMT2AMEN1MAPTKDM4ENPSR1

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
EP-3235820-A1 PYRROLOBENZODIAZEPINES AND ANTIBODY DISULFIDE CONJUGATES THEREOF Genentech, Inc. (US) 2017-10-25 — — EP disclosed
Send feedback