SCHEMBL5513518

SCHEMBL5513518

NC1CCCc2c1n(Cl)c1ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TBXA2R P21731 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ ACHE P22303 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ SMPD1 P17405 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PER2 O15055 1/20 0.33

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
SCHEMBL4967660 0.80 KDM4E (0.46) MEN1ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL4970714 0.76 MEN1 (0.40) MEN1ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL8793251 0.71 HTR2A (0.44) MEN1ALDH1A1KMT2AHSD17B10HPGD
Hydrochloric Acid SCHEMBL8792855 0.70 ALOX15 (0.45) MEN1ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL11755532 0.69 CA1 (0.62) MEN1ALDH1A1KMT2AHSD17B10CA1
SCHEMBL4968337 0.68 MAPT (0.44) MEN1ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL9802274 0.67 MEN1 (0.59) MEN1ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL8582700 0.66 TBXA2R (0.42) MEN1ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL19374171 0.66 ALDH1A1 (0.54) MEN1ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL4969052 0.65 HTR6 (0.49) MEN1ALDH1A1KMT2AHSD17B10HTR6

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
EP-1819671-A2 HCV INHIBITORS WITH CARBAZOLE STRUCTURE SmithKline Beecham Corporation (US) 2007-08-22 — — EP disclosed
WO-2006118607-A2 HCV INHIBITORS WITH CARBAZOLE STRUCTURE SMITHKLINE BEECHAM CORPORATION (US) 2006-11-09 — — WO disclosed
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