SCHEMBL6236432

SCHEMBL6236432

Cc1cnc(CCNCc2ccc(OCc3ccccc3)cc2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 15/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
S1PR1 P21453 1/20 0.42
PRKX P51817 1/20 0.42
ACVR1 Q04771 1/20 0.42
S1PR5 Q9H228 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL6230537 0.88 BCHE (0.52) BCHEMEN1KMT2ASMN1; SMN2
SCHEMBL6232919 0.85 PTPRZ1 (0.44) BCHEMEN1KMT2ANPSR1
SCHEMBL6240567 0.85 BCHE (0.64) BCHEMEN1KMT2AMAPK1
SCHEMBL6231785 0.83 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6233694 0.81 SMN1; SMN2 (0.53) BCHEMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6233779 0.79 CD274 (0.49) BCHEMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6236427 0.78 MAOB (0.46) BCHEMEN1KMT2AS1PR1PRKX
SCHEMBL6233816 0.77 SLC2A1 (0.51) BCHEMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6235445 0.76 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6235980 0.76 SMN1; SMN2 (0.59) BCHEMEN1KMT2ASMN1; SMN2ALDH1A1

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