SCHEMBL13858557

SCHEMBL13858557

O=C(O)NCc1nn(NC(=O)CC2CC3CCC2C3)c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.44
▸ ALDH1A1 P00352 7/20 0.39
▸ HTT P42858 4/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ LMNA P02545 6/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ METTL3 Q86U44 2/20 0.36
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL1786631 0.87 TSHR (0.46) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL1786629 0.87 TSHR (0.46) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL1788700 0.86 ALDH1A1 (0.45) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL1788699 0.86 ALDH1A1 (0.45) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720768 0.84 POLB (0.45) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720415 0.83 ALDH1A1 (0.39) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720885 0.83 MEN1 (0.44) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720888 0.83 MEN1 (0.44) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720506 0.82 HPGD (0.37) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720508 0.82 HPGD (0.37) HPGDALDH1A1HTTRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
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