SCHEMBL27899516

SCHEMBL27899516

CCc1ccnc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ PIM1 P11309 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ STAT3 P40763 1/20 0.30
▸ STAT1 P42224 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
SCHEMBL4359482 0.83 CCR1 (0.42) NOS3NOS1NOS2STAT3STAT1
SCHEMBL28973037 0.79 NPBWR1 (0.36) STAT3STAT1
Iodide SCHEMBL11338884 0.78 NPC1 (0.40) STAT3STAT1
SCHEMBL460723 0.78 NPC1 (0.41) STAT3STAT1
SCHEMBL8467251 0.77 STAT3 (0.34) STAT3STAT1
SCHEMBL28757530 0.76 NPC1 (0.40) STAT3STAT1
SCHEMBL31678981 0.76 NPC1 (0.40) STAT3STAT1
SCHEMBL28446738 0.76 NPC1 (0.40) STAT3STAT1
SCHEMBL31229487 0.76 NPC1 (0.40) STAT3STAT1
Iodide SCHEMBL11325081 0.76 NPC1 (0.40) STAT3STAT1

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
CN-103068395-A Therapeutic agent for disease YUASA MAKOTO 2013-04-24 — — CN disclosed
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