SCHEMBL12486241

SCHEMBL12486241

CCC(C)S(=N)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
CCR5 P51681 1/20 0.40
HTR6 P50406 1/20 0.39
HSD11B1 P28845 1/20 0.39
LARS1 Q9P2J5 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL2446838 0.79 PSIP1 (0.52) PSIP1SMN1; SMN2CCR5HTR6HSD11B1
SCHEMBL17527530 0.79 HTR6 (0.46) PSIP1SMN1; SMN2HTR6TDP1ALDH1A1
SCHEMBL835333 0.76 PSIP1 (0.44) PSIP1SMN1; SMN2CCR5HSD11B1TSHR
SCHEMBL1476603 0.76 PSIP1 (0.44) PSIP1SMN1; SMN2CCR5HSD11B1TSHR
SCHEMBL835334 0.76 PSIP1 (0.44) PSIP1SMN1; SMN2CCR5HSD11B1TSHR
SCHEMBL21766568 0.72 PSIP1 (0.43) PSIP1SMN1; SMN2CCR5HSD11B1LARS1
SCHEMBL2443658 0.72 PSIP1 (0.54) PSIP1SMN1; SMN2CCR5HTR6HSD11B1
SCHEMBL3635347 0.72 PSIP1 (0.58) PSIP1SMN1; SMN2HTR6HSD11B1TDP1
SCHEMBL21708862 0.70 HTR6 (0.46) PSIP1SMN1; SMN2HTR6TDP1ALDH1A1
SCHEMBL12486139 0.70 HTR6 (0.46) PSIP1SMN1; SMN2HTR6TDP1ALDH1A1

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-7973024-B2 24-sulfoximine vitamin D3 compounds Cyctochroma Inc. (CA) 2011-07-05 US disclosed