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SCHEMBL6865225

SCHEMBL6865225

Cc1ccc(Nc2ccccc2NC(=O)CCCc2ccc(N=C(N)c3cccs3)cc2)cc1.NC(=Nc1ccc(CCCC(=O)Oc2ccc(Nc3ccccc3)cc2)cc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 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
SCHEMBL4625799 0.91 NOS1 (0.49) NOS1ALDH1A1MEN1KMT2ANOS3
SCHEMBL4625800 0.91 NOS1 (0.49) NOS1ALDH1A1MEN1KMT2ANOS3
SCHEMBL4627434 0.88 NOS1 (0.46) NOS1NOS3NOS2
SCHEMBL5400456 0.88 NOS1 (0.46) NOS1NOS3NOS2
SCHEMBL6866190 0.87 SIRT2 (0.49) NOS1NOS3NOS2
SCHEMBL4625781 0.84 NOS1 (0.56) NOS1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4625782 0.84 NOS1 (0.56) NOS1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL6864308 0.84 NOS1 (0.44) NOS1ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5412481 0.83 NOS1 (0.55) NOS1ALDH1A1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL5412479 0.83 NOS1 (0.55) NOS1ALDH1A1MEN1KMT2ARAB9A

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
US-6809090-B2 NITROGEN MONOXIDE SYNTHASE AND/OR LIPIDIC PEROXIDATION INHIBITORS IPSEN PHARMA S.A.S. (FR) 2004-10-26 — — US disclosed