SCHEMBL7749014

SCHEMBL7749014

CNS(=O)(=O)c1nc2c(-c3ccccn3)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 5/20 0.44
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
METAP2 P50579 3/20 0.39
METAP1 P53582 3/20 0.39
IDO1 P14902 1/20 0.38
EDNRA P25101 1/20 0.38
WNT1 P04628 2/20 0.38
TGFBR1 P36897 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.37
DHODH Q02127 1/20 0.37
PARP2 Q9UGN5 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
SCHEMBL7749016 0.82 EDNRA (0.39) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL10466047 0.73 L3MBTL1 (0.67) SMN1; SMN2ALDH1A1TP53CYP3A4HSD17B10
SCHEMBL6738508 0.72 STK33 (0.54) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL23105410 0.72 CBFB (0.50) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL13504643 0.70 CBFB (0.57) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL2872550 0.70 CBFB (0.50) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL10466134 0.70 PKN1 (0.50) SMN1; SMN2ALDH1A1CYP3A4CYP2D6ALOX15
SCHEMBL10429390 0.69 CBFB (0.46) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL8062130 0.69 CBFB (0.49) CBFBHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL6638459 0.68 EDNRA (0.42) SMN1; SMN2ALDH1A1METAP1IDO1EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001022985-A1 USE OF PENTAGASTRIN TO INHIBIT GASTRIC ACID SECRETION OR AS A DIURETIC THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-04-05 WO disclosed