SCHEMBL6454758

SCHEMBL6454758

Cc1cc(C)n(C([NH])=N)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ENPP3 O14638 5/20 0.46
ALPL P05186 5/20 0.46
XIAP P98170 5/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.43
F12 P00748 1/20 0.42

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
SCHEMBL22622062 0.84 TSHR (0.52) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL15459000 0.82 TSHR (0.50) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL369236 0.80 TSHR (0.48) TSHRALDH1A1MEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6943796 0.78 TSHR (0.47) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL12569998 0.77 TSHR (0.46) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL1862337 0.74 TSHR (0.62) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL3739579 0.73 TSHR (0.60) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL4457538 0.73 TSHR (0.60) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13497355 0.72 MAPT (0.43) TSHRALDH1A1MEN1CYP1A2CYP3A4
Acetic Acid SCHEMBL10353741 0.72 TSHR (0.50) TSHRALDH1A1MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581533-A2 NOVEL BENZONAPHTHYRIDINES ALTANA Pharma AG (DE) 2005-10-05 EP claimed
WO-2004018465-A9 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-09-15 WO claimed
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 WO claimed
EP-1581533-A2 NOVEL BENZONAPHTHYRIDINES ALTANA Pharma AG (DE) 2005-10-05 EP disclosed
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed