SCHEMBL6314224

SCHEMBL6314224

Cc1cccc([C](c2ccccc2)c2cccc(C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PARP1 P09874 1/20 0.54
▸ POLB P06746 3/20 0.53
▸ ACHE P22303 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KCNK3 O14649 2/20 0.50
▸ KCNK9 Q9NPC2 2/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6312819 1.00 SMN1; SMN2 (0.57) SMN1; SMN2PARP1POLBACHEMEN1
SCHEMBL6318848 0.83 TPMT (0.48) SMN1; SMN2PARP1POLBACHEMEN1
SCHEMBL16955311 0.78 PARP1 (0.56) SMN1; SMN2PARP1POLBACHEMEN1
SCHEMBL12802229 0.77 SMN1; SMN2 (0.53) SMN1; SMN2PARP1POLBACHEMEN1
SCHEMBL31529061 0.77 CES2 (0.65) SMN1; SMN2PARP1POLBMEN1KMT2A
SCHEMBL81347 0.77 ATM (0.71) SMN1; SMN2PARP1POLBMEN1KMT2A
SCHEMBL29658753 0.77 ATM (0.71) SMN1; SMN2PARP1POLBMEN1KMT2A
SCHEMBL19662378 0.77 SMN1; SMN2 (0.53) SMN1; SMN2PARP1POLBACHEMEN1
SCHEMBL22010742 0.77 SMN1; SMN2 (0.53) SMN1; SMN2PARP1POLBACHEMEN1
SCHEMBL3753584 0.77 CES2 (0.65) SMN1; SMN2PARP1POLBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 — — US disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 — — EP disclosed
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