SCHEMBL2650195

SCHEMBL2650195

C#CCOc1ccc(C=NN)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.44
CA2 P00918 7/20 0.44
CA9 Q16790 7/20 0.44
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
MAOB P27338 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
NTSR1 P30989 1/20 0.35
CCR6 P51684 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
GCGR P47871 1/20 0.34

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
SCHEMBL2658430 0.85 NPC1 (0.39) CA12CA2CA9HPGDLMNA
SCHEMBL2313170 0.81 CA12 (0.59) CA12CA2CA9HPGDLMNA
SCHEMBL19038923 0.80 CYP3A4 (0.49) CA12CA2CA9HPGDLMNA
SCHEMBL2664436 0.80 CYP3A4 (0.42) CA12CA2CA9HPGDLMNA
SCHEMBL7239605 0.78 PLAU (0.48) HPGDLMNATSHRMEN1KMT2A
SCHEMBL7230499 0.78 HPGD (0.51) CA12CA9HPGDLMNATSHR
SCHEMBL7228644 0.78 IDO1 (0.55) HPGDLMNAMAPTALDH1A1ALOX12
SCHEMBL2650002 0.78 IDO1 (0.37) HPGDLMNATSHRMEN1KMT2A
SCHEMBL26208706 0.77 KMT2A (0.40) CA12CA2CA9HPGDLMNA
SCHEMBL20530601 0.74 IDO1 (0.52) CA12CA2CA9HPGDTSHR

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