SCHEMBL7315592

SCHEMBL7315592

COC(=O)c1cc(C)cc(C)c1NS(=O)(=O)c1ccc(F)cc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACLY P53396 1/20 0.41
PLA2G2A P14555 3/20 0.41
SLC16A3 O15427 1/20 0.41
LMNA P02545 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
KCNH2 Q12809 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
SCHEMBL7316879 0.91 METAP2 (0.57) METAP2SMN1; SMN2ACLYSLC16A3LMNA
SCHEMBL7317403 0.88 METAP2 (0.48) METAP2SMN1; SMN2PLA2G2ALMNAFFAR4
SCHEMBL7322650 0.81 METAP2 (0.58) METAP2SMN1; SMN2FFAR4ALDH1A1MEN1
SCHEMBL7316525 0.80 ALDH1A1 (0.42) SMN1; SMN2PLA2G2ALMNAALDH1A1MEN1
SCHEMBL7318301 0.79 MTNR1A (0.43) SMN1; SMN2PLA2G2ALMNAFFAR4HTT
SCHEMBL7315387 0.78 FFAR4 (0.44) METAP2FFAR4ALDH1A1MEN1KMT2A
SCHEMBL7313794 0.78 MTNR1A (0.42) PLA2G2ALMNAALDH1A1MEN1KMT2A
SCHEMBL7311131 0.78 FFAR4 (0.44) METAP2SMN1; SMN2LMNAFFAR4HTT
SCHEMBL7321197 0.78 MTNR1A (0.41) CYP3A4CYP2C19PLA2G2ALMNAFFAR4
SCHEMBL7322578 0.78 MMP13 (0.45) METAP2CYP3A4LMNAHTTALDH1A1

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed