SCHEMBL6738508

SCHEMBL6738508

O=S(=O)(Nc1ccccc1-c1ccccn1)c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK33 Q9BYT3 6/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
MTOR P42345 1/20 0.49
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL27214319 0.80 SLC40A1 (0.62) LMNAMETAP2METAP1ALDH1A1MEN1
SCHEMBL30925465 0.80 SLC40A1 (0.62) LMNAMETAP2METAP1ALDH1A1MEN1
SCHEMBL10467765 0.79 ALDH1A1 (0.56) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL10466744 0.76 RECQL (0.54) STK33HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL28408197 0.76 SLC40A1 (0.56) STK33SMN1; SMN2LMNAMETAP2METAP1
SCHEMBL7749014 0.72 CBFB (0.44) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL1206957 0.72 KDM1A (0.54) NPC1RAB9AL3MBTL1CDK1CDK2
SCHEMBL477759 0.72 L3MBTL1 (0.53) STK33NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7749016 0.72 EDNRA (0.39) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL5324494 0.71 ALDH1A1 (0.70) NPC1HPGDSMN1; SMN2LMNAPKM

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-2004098609-A1 BENZOTRIAZEPINE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-11-18 WO disclosed