SCHEMBL7749016

SCHEMBL7749016

CNS(=O)(=O)c1nc2cccc(-c3ccccn3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MTOR P42345 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
CBFB Q13951 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.38
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
ALPL P05186 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
SCHEMBL7749014 0.82 CBFB (0.44) EDNRALMNANPC1RAB9ASMN1; SMN2
SCHEMBL4313385 0.76 NPC1 (0.45) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL27837532 0.74 METAP2 (0.63) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL10466047 0.72 L3MBTL1 (0.67) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL6738508 0.72 STK33 (0.54) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL31402009 0.71 L3MBTL1 (0.60) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL13504644 0.71 NPC1 (0.50) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL1989677 0.70 NPC1 (0.40) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL10922585 0.69 TGFBR1 (0.46) EDNRANPC1RAB9ASMN1; SMN2METAP2
SCHEMBL6675102 0.68 L3MBTL1 (0.55) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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