SCHEMBL8356749

SCHEMBL8356749

O=C(O)N(c1ccccc1)c1ccc[n+](-c2ncncn2)c1N(C(=O)O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL7026456 0.70 NPSR1 (0.48) NPSR1NPC1ALDH1A1POLBHTT
SCHEMBL6416654 0.66 NAPRT (0.32) ALDH1A1
Bromide SCHEMBL31210017 0.65 NPSR1 (0.67) NPSR1NPC1ALDH1A1POLBHTT
SCHEMBL3718482 0.63 NPSR1 (0.44) NPSR1NPC1ALDH1A1POLBHTT
SCHEMBL19778 0.63 NPSR1 (0.70) NPSR1NPC1ALDH1A1POLBHTT
SCHEMBL2092885 0.62 NPSR1 (0.50) NPSR1NPC1ALDH1A1POLBHTT
SCHEMBL2098348 0.62 NPSR1 (0.56) NPSR1NPC1ALDH1A1POLBHTT
SCHEMBL2092783 0.62 NPSR1 (0.50) NPSR1NPC1ALDH1A1POLBHTT
SCHEMBL28335619 0.62 NPSR1 (0.50) NPSR1NPC1ALDH1A1POLBHTT
SCHEMBL2089056 0.62 NPSR1 (0.50) NPSR1NPC1ALDH1A1POLBHTT

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-5948487-A Anisotropic retardation layers for display devices 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-09-07 US disclosed