SCHEMBL6235950

SCHEMBL6235950

Cc1cnc(C(C)NCc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)s1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 13/20 0.49
CD274 Q9NZQ7 13/20 0.49
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP7 Q93009 1/20 0.40

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
SCHEMBL6235743 0.87 PDCD1 (0.39) PDCD1CD274CTSVCTSLMEN1
SCHEMBL6233814 0.85 FFAR4 (0.45) CD274MEN1KMT2A
SCHEMBL6254681 0.84 PDCD1 (0.41) PDCD1CD274MEN1MAPTKMT2A
SCHEMBL6254676 0.84 PDCD1 (0.41) PDCD1CD274MEN1MAPTKMT2A
SCHEMBL6233809 0.83 HTR7 (0.41) MEN1KMT2A
SCHEMBL6231703 0.83 LMNA (0.53) MEN1MAPTKMT2A
SCHEMBL6231706 0.83 LMNA (0.53) MEN1MAPTKMT2A
SCHEMBL6233689 0.83 CD274 (0.45) CD274MEN1KMT2A
SCHEMBL6233811 0.83 HTR7 (0.41) MEN1KMT2A
SCHEMBL6232051 0.82 MEN1 (0.51) POLBMEN1MAPTKMT2A

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed