SCHEMBL7512150

SCHEMBL7512150

CCCC1NCCc2ccc(NC(=N)c3cccs3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
PLG P00747 3/20 0.42
PLAU P00749 3/20 0.42
KLKB1 P03952 3/20 0.42
PRSS1 P07477 3/20 0.42
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PLAT P00750 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
QRFPR Q96P65 1/20 0.32

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
SCHEMBL7506678 0.92 F2 (0.43) F2PLGPLAUKLKB1PRSS1
SCHEMBL7518387 0.91 F2 (0.40) F2PLGPLAUKLKB1PRSS1
Hydrochloric Acid SCHEMBL7518361 0.90 F2 (0.40) F2PLGPLAUKLKB1PRSS1
SCHEMBL7516238 0.84 SMN1; SMN2 (0.44) F2PLGPLAUKLKB1PRSS1
SCHEMBL7506656 0.84 F2 (0.43) F2PLGPLAUKLKB1PRSS1
SCHEMBL7511195 0.84 F2 (0.47) F2PLGPLAUKLKB1PRSS1
SCHEMBL7511393 0.84 F2 (0.42) F2PLGPLAUKLKB1PRSS1
SCHEMBL7508618 0.84 NPC1 (0.42) F2PLGPLAUKLKB1PRSS1
Hydrochloric Acid SCHEMBL7508858 0.83 F2 (0.46) F2PLGPLAUKLKB1PRSS1
Hydrochloric Acid SCHEMBL7517398 0.83 NPC1 (0.41) F2PLGPLAUKLKB1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP claimed
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
US-6140322-A Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 2000-10-31 US disclosed
US-5929085-A Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 1999-07-27 US disclosed