SCHEMBL6774446

SCHEMBL6774446

COc1ccc(S(=O)(=O)NCCn2c(C)nc3c(N)nc(C)c(C)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41
HTR7 P34969 1/20 0.41
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6779678 0.89 NPY5R (0.40) L3MBTL1HTR7USP2
SCHEMBL6780037 0.89 CYP3A4 (0.40) ALDH1A1L3MBTL1THRBUSP2
SCHEMBL6773797 0.87 KMT2A (0.43) ALDH1A1PKMSMN1; SMN2LMNAL3MBTL1
SCHEMBL6778251 0.86 MEN1 (0.43) ALDH1A1SMN1; SMN2LMNATHRBUSP2
SCHEMBL6778198 0.85 CA1 (0.40) ALDH1A1SMN1; SMN2LMNAHTR7USP2
SCHEMBL6780526 0.85 MEP1B (0.41) ALDH1A1USP2
SCHEMBL6783573 0.85 CYP19A1 (0.39) USP2
SCHEMBL6778211 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAPOLBHTR7
SCHEMBL6777386 0.84 CCR1 (0.41) ALDH1A1PKML3MBTL1HTR7
SCHEMBL6774343 0.81 ALDH1A1 (0.44) ALDH1A1PKMSMN1; SMN2LMNAL3MBTL1

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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed