SCHEMBL6178549

SCHEMBL6178549

CC(=O)c1ccc2c(c1)ncn2[C@@H](C)CO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.58
FGFR1 P11362 4/20 0.52
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8363135 0.85 HCAR3 (0.78) HCAR3FGFR1NPC1RAB9AALDH1A1
SCHEMBL6177681 0.85 HCAR3 (0.54) HCAR3NPC1RAB9AALDH1A1HPGD
SCHEMBL6176464 0.85 HCAR3 (0.54) HCAR3NPC1RAB9AALDH1A1HPGD
SCHEMBL6175805 0.79 ALDH1A1 (0.48) HCAR3ALDH1A1HPGDLMNAMAPT
SCHEMBL6176252 0.78 HCAR3 (0.44) HCAR3NPC1RAB9AALDH1A1HPGD
SCHEMBL6175852 0.75 NPSR1 (0.46) HCAR3NPC1RAB9AALDH1A1HPGD
SCHEMBL6281552 0.75 FGFR1 (0.52) HCAR3FGFR1NPC1RAB9AALDH1A1
SCHEMBL6179506 0.74 MEN1 (0.58) FGFR1NPC1RAB9AALDH1A1HPGD
SCHEMBL6112848 0.74 ALDH1A1 (0.65) HCAR3FGFR1NPC1RAB9AALDH1A1
SCHEMBL6112712 0.74 NPC1 (0.62) HCAR3FGFR1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 WO disclosed