SCHEMBL2650002

SCHEMBL2650002

NN=Cc1ccc(OCCCl)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
GCGR P47871 5/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 1/20 0.36
NTSR1 P30989 1/20 0.36
CCR6 P51684 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 5/20 0.35
HTR1B P28222 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 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
SCHEMBL7228644 0.85 IDO1 (0.55) IDO1GCGRALDH1A1LMNAMAPT
SCHEMBL12604032 0.80 IDO1 (0.52) IDO1ALDH1A1LMNAMAPTHPGD
SCHEMBL2651404 0.80 ALDH1A1 (0.50) IDO1ALDH1A1LMNAMAPTHPGD
SCHEMBL7230499 0.79 HPGD (0.51) GCGRALDH1A1LMNAMAPTHPGD
SCHEMBL7239605 0.79 PLAU (0.48) GCGRALDH1A1LMNAMAPTHPGD
SCHEMBL2650195 0.78 CA12 (0.44) GCGRALDH1A1LMNAMAPTHPGD
SCHEMBL2658430 0.78 NPC1 (0.39) IDO1GCGRALDH1A1LMNAMAPT
SCHEMBL7227975 0.76 FABP4 (0.41) GCGRHPGD
SCHEMBL2650258 0.76 IDO1 (0.52) IDO1GCGRALDH1A1LMNAMAPT
SCHEMBL7235343 0.74 ALDH1A1 (0.52) IDO1ALDH1A1LMNAMAPTALOX12

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
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed