SCHEMBL19554202

SCHEMBL19554202

Cc1cc2cc(C(=O)Cl)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.41
▸ DYRK1B Q9Y463 5/20 0.41
▸ CLK1 P49759 4/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B1 P14061 1/20 0.39
▸ HDAC6 Q9UBN7 6/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ LMNA P02545 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
SCHEMBL6299629 0.84 SMN1; SMN2 (0.57) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL4649325 0.80 DYRK1A (0.40) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL6299396 0.79 HDAC1 (0.50) NPC1RAB9ASMN1; SMN2HDAC6HDAC1
SCHEMBL10314836 0.78 HDAC6 (0.37) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL14943039 0.78 NPC1 (0.37) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL10143895 0.76 DYRK1A (0.39) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL2944163 0.75 RXRA (0.50) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24124671 0.72 NPC1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL8148280 0.72 HDAC6 (0.41) DYRK1ADYRK1BCLK1NPC1RAB9A
SCHEMBL13032437 0.72 HPGD (0.38) DYRK1ADYRK1BCLK1HSD17B1HDAC6

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 — — WO disclosed
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