SCHEMBL28825903

SCHEMBL28825903

O=C(OC1=CCCc2c1ccc1c2ccc2ccccc21)c1ccc2cnncc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL1461967 0.76 KMT2A (0.41) MAPTALDH1A1HPGDTDP1MEN1
Hydrochloric Acid SCHEMBL27291846 0.72 L3MBTL1 (0.46) MAPTALDH1A1HPGDTDP1MEN1
SCHEMBL28231725 0.71 KDM4E (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL14599179 0.67 MAPT (0.55) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL27523850 0.66 HPRT1 (0.41) MAPTALDH1A1HPGDTDP1MEN1
SCHEMBL19972850 0.65 KMT2A (0.51) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL27314717 0.64 NR4A1 (0.40) MAPTALDH1A1HPGDTDP1MEN1
SCHEMBL25239580 0.63 ALDH1A1 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL27514627 0.62 MAPT (0.35) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2781193 0.62 ALDH1A1 (0.54) MAPTALDH1A1HPGDTDP1TP53

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
CN-105307655-A Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB 2016-02-03 CN disclosed