SCHEMBL20749465

SCHEMBL20749465

O=C(OI)c1cc2c(cc1Br)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 4/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
MAPK1 P28482 2/20 0.39
GLA P06280 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.38
TSHR P16473 3/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL17782662 0.83 KDM4E (0.53) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL20740108 0.79 L3MBTL1 (0.54) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL30996440 0.79 L3MBTL1 (0.54) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL30617194 0.78 SMN1; SMN2 (0.73) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL7216296 0.78 SMN1; SMN2 (0.73) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL9016652 0.77 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL11832759 0.77 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL13518625 0.76 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL20749427 0.76 ALDH1A1 (0.36) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL1279441 0.72 KDM4E (0.66) SMN1; SMN2MAPTMEN1KMT2AHPGD

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-3444253-A1 PROCESS FOR PREPARING AD-35 Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2019-02-20 EP disclosed