SCHEMBL20138635

SCHEMBL20138635

CC(=O)Oc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 8/20 0.39
MAPT P10636 5/20 0.39
VCP P55072 1/20 0.37
RECQL P46063 1/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGS2 P35354 3/20 0.35
HSP90AA1 P07900 1/20 0.34
CCR6 P51684 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL317481 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTHTTTDP1
SCHEMBL1451808 0.77 KDM4E (0.44) ALDH1A1GAATDP1PTGS2KDM4E
SCHEMBL1205065 0.76 TNFSF11 (0.46) SMN1; SMN2ALDH1A1VCPGAAPKM
SCHEMBL30520310 0.76 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MAPTRECQLHTT
SCHEMBL6201135 0.76 TPMT (0.35) SMN1; SMN2ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL20138650 0.76 KDM4E (0.38) ALDH1A1GAATDP1PTGS2KDM4E
SCHEMBL471777 0.76 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MAPTRECQLHTT
SCHEMBL3580690 0.75 PDK1 (0.47) SMN1; SMN2ALDH1A1MAPTRECQLHTT
SCHEMBL4521634 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTRECQLGAA
SCHEMBL25329772 0.75 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1MAPTRECQLHTT

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-3538080-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co. Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 WO disclosed