SCHEMBL4852379

SCHEMBL4852379

Cc1ccc(S(=O)(=O)O[C@]2(C3(C)C=CC=CC3)CCNC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP3 P08254 1/20 0.30
MMP10 P09238 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
SCHEMBL2341926 0.70 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2
SCHEMBL28050943 0.66 TLR9 (0.34) KMT2ASMN1; SMN2
SCHEMBL10096968 0.65 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2
SCHEMBL4852373 0.65 OPRM1 (0.46) HTR6KMT2ASMN1; SMN2
SCHEMBL7751891 0.64 OPRM1 (0.41) HTR6KMT2ASMN1; SMN2MMP3MMP10
SCHEMBL27944713 0.64 DHODH (0.34) KMT2ASMN1; SMN2
SCHEMBL11332992 0.63 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2
Methyl Alcohol SCHEMBL11717390 0.63 KMT2A (0.41) HTR6KMT2ASMN1; SMN2
SCHEMBL10611492 0.62 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2
SCHEMBL7056971 0.60 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2

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-2008126106-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF DARIFENACIN, DARIFENACIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS SATYANARAYANA REDDY MANNE (IN) 2008-10-23 WO disclosed