SCHEMBL2648658

SCHEMBL2648658

NS(=O)(=O)C1CCCC1.O=Cc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
ERN1 O75460 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MPI P34949 1/20 0.36
CA12 O43570 2/20 0.36
RXRA P19793 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
Cyclohexylamine SCHEMBL7798417 0.80 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL2647106 0.79 CYP2A6 (0.53) CA2CA1CA9MEN1KMT2A
SCHEMBL9005 0.77 MEN1 (0.57) ERN1MEN1KMT2AALDH1A1POLB
SCHEMBL35849993 0.77 MEN1 (0.57) ERN1MEN1KMT2AALDH1A1POLB
Sulfuric Acid SCHEMBL18007425 0.76 ERN1 (0.48) CA2CA1CA9ERN1MEN1
SCHEMBL11132298 0.75 MEN1 (0.55) ERN1MEN1KMT2AALDH1A1POLB
SCHEMBL3109583 0.75 MEN1 (0.55) ERN1MEN1KMT2AALDH1A1POLB
SCHEMBL3107253 0.75 MEN1 (0.55) ERN1MEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL10384676 0.75 MEN1 (0.55) ERN1MEN1KMT2AALDH1A1POLB
SCHEMBL3115624 0.75 MEN1 (0.55) ERN1MEN1KMT2AALDH1A1POLB

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-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed