SCHEMBL6508601

SCHEMBL6508601

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccc(C(C)=O)cc4)CC3)cc1)CCN(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6502583 0.87 LMNA (0.48) MAPTALDH1A1POLBNPSR1LMNA
SCHEMBL6510748 0.87 HTR6 (0.46) ALDH1A1KMT2APOLB
SCHEMBL6500880 0.87 LMNA (0.51) MAPTGAAALDH1A1KMT2APOLB
SCHEMBL6509242 0.86 MAOB (0.54) MAPTKMT2ALMNATSHR
SCHEMBL6504564 0.86 HTR6 (0.54) MAPTGAALMNATSHR
Hydrochloric Acid SCHEMBL6504357 0.85 MAOB (0.53) MAPTKMT2ALMNATSHR
SCHEMBL6507562 0.83 MAPT (0.57) MAPTALDH1A1KMT2APOLBCA1
SCHEMBL6508620 0.83 MAPT (0.49) MAPTRAB9ASMN1; SMN2LMNATSHR
SCHEMBL6511504 0.83 DRD2 (0.52) MAPTGAAALDH1A1KMT2APOLB
SCHEMBL6499030 0.83 TNF (0.46) TNFNOD2NOD1MAPTGAA

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-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed