SCHEMBL6864308

SCHEMBL6864308

Cc1ccc(Nc2ccc(NC(=O)CCCc3ccc(N=C(N)c4cccs4)cc3)cc2)cc1.NC(=Nc1ccc(CC(CC(=O)Oc2ccccc2)Nc2ccccc2)cc1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.44
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.35
KDM1A O60341 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL4625782 0.84 NOS1 (0.56) NOS1ALDH1A1MEN1KMT2ANPC1
SCHEMBL4625781 0.84 NOS1 (0.56) NOS1ALDH1A1MEN1KMT2ANPC1
SCHEMBL6865225 0.84 NOS1 (0.42) NOS1ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5412479 0.84 NOS1 (0.55) NOS1ALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5412481 0.84 NOS1 (0.55) NOS1ALDH1A1MEN1KMT2ANPC1
SCHEMBL4627434 0.80 NOS1 (0.46) NOS1NOS3NOS2
SCHEMBL5400456 0.80 NOS1 (0.46) NOS1NOS3NOS2
SCHEMBL6962660 0.79 NOS1 (0.59) NOS1MEN1KMT2AKDM1AKDM4E
SCHEMBL4627433 0.79 MEN1 (0.56) NOS1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4627440 0.79 MEN1 (0.56) NOS1ALDH1A1MEN1KMT2AMAPT

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