SCHEMBL28756572

SCHEMBL28756572

COc1ccc(Nc2nc(N=C3CCC(S(C)(=O)=O)CC3)nc(NC3CCCCCC3)n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 1/20 0.44
▸ GALR1 P47211 7/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ GALR2 O43603 6/20 0.39
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL4832209 0.88 BCL6 (0.50) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL4836523 0.82 BCL6 (0.59) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL4832326 0.82 BCL6 (0.59) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL4835239 0.82 BCL6 (0.59) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL4829377 0.79 CDK4 (0.49) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL14585681 0.79 BCL6 (0.55) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL14417600 0.79 BCL6 (0.55) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL4838260 0.78 RAB9A (0.62) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL6231983 0.78 SMN1; SMN2 (0.58) BCL6GALR1KMT2ASMN1; SMN2MEN1
SCHEMBL4832475 0.78 BCL6 (0.54) BCL6GALR1KMT2ASMN1; SMN2MEN1

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
CN-1697831-A Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS INC (US) 2005-11-16 — — CN claimed
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