SCHEMBL20080903

SCHEMBL20080903

CNC(=S)N/N=C/c1ccc(F)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.61
▸ MAPT P10636 6/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ ALOX12 P18054 3/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ POLB P06746 3/20 0.47
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ GLA P06280 1/20 0.44

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
SCHEMBL15694788 0.84 HTT (0.55) LMNAMAPTALDH1A1KDM4ENFKB1
SCHEMBL15694789 0.76 NPC1 (0.67) MAPTALDH1A1KDM4ENPSR1MEN1
SCHEMBL17503146 0.72 HPGD (0.43) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL17503145 0.72 HPGD (0.43) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL17539208 0.72 HPGD (0.43) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL17211855 0.72 POLB (0.57) LMNAMAPTALDH1A1KDM4ENFKB1
SCHEMBL18460775 0.72 NPSR1 (0.59) LMNAMAPTALDH1A1KDM4ENFKB1
SCHEMBL15672269 0.70 KDM4E (0.77) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL17211853 0.70 NPC1 (0.66) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL29773615 0.70 NCOA3 (0.49) LMNAMAPTALDH1A1KDM4ENFKB1

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-2915806-B1 QUINOLINE COMPOUND AND USE THEREOF UNIV SHENYANG PHARMACEUTICAL (CN) 2018-04-25 — — EP disclosed
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