SCHEMBL9563393

SCHEMBL9563393

CCc1c(OC)c(OC)cc2nc(CCl)nc(-c3ccc(OC)c(OC)c3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 7/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 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
SCHEMBL8131735 0.79 SLC10A2 (0.41) SLC10A2L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL7819852 0.78 WHR1 (0.48) L3MBTL1KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL9181338 0.70 SLC10A2 (0.47) SLC10A2KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL7489529 0.70 ALDH1A1 (0.43) SLC10A2L3MBTL1KDM4EALDH1A1TDP1
SCHEMBL8884921 0.64 KDM4E (0.48) L3MBTL1KDM4EALDH1A1HPGDPDGFRB
SCHEMBL4291890 0.64 ALDH1A1 (0.50) SLC10A2L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7820197 0.64 PDE4A (0.48) L3MBTL1KDM4EALDH1A1HPGDPDGFRB
SCHEMBL7825968 0.64 WHR1 (0.46) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8138601 0.63 WHR1 (0.42) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL14544751 0.62 PDE4A (0.51) L3MBTL1KDM4EALDH1A1MEN1MAPK1

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-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 — — EP disclosed
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