SCHEMBL7512428

SCHEMBL7512428

CCC1Cc2ccc(NC(=N)C3=CC=CCC3=S)cc2CN1C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL7510864 0.87
SCHEMBL7818532 0.81 L3MBTL3 (0.38) L3MBTL3
SCHEMBL7827664 0.80 ROCK2 (0.38)
SCHEMBL7506577 0.80 PNMT (0.44)
SCHEMBL7824786 0.79 DRD2 (0.37)
SCHEMBL8307723 0.79 DRD2 (0.32)
SCHEMBL8305510 0.78 CA12 (0.34)
SCHEMBL7827942 0.78 DRD2 (0.45)
SCHEMBL7515445 0.77 L3MBTL3 (0.34) L3MBTL3
SCHEMBL7512685 0.77 BTK (0.38)

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
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP claimed