SCHEMBL7316252

SCHEMBL7316252

COC(=O)c1c(Cc2ccccc2)c(C)c(Cl)c(N)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
PLA2G2A P14555 2/20 0.45
TP53 P04637 2/20 0.42
MMP2 P08253 2/20 0.41
MMP8 P22894 2/20 0.41
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
MMP14 P50281 2/20 0.41
MMP16 P51512 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL7312473 0.92 MCL1 (0.44) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL7317327 0.90 MMP9 (0.46) MAPTTP53MMP2MMP8MMP12
SCHEMBL7317410 0.89 ALDH1A1 (0.47) HSP90AA1ALDH1A1MAPTPOLBMEN1
SCHEMBL7354908 0.87 ALDH1A1 (0.43) HSP90AA1ALDH1A1MAPTPOLBMEN1
SCHEMBL7318307 0.86 ALDH1A1 (0.45) HSP90AA1ALDH1A1MAPTPOLBMEN1
SCHEMBL7313804 0.86 ALDH1A1 (0.45) HSP90AA1ALDH1A1MAPTPOLBMEN1
SCHEMBL7321207 0.86 ALDH1A1 (0.45) HSP90AA1ALDH1A1MAPTPOLBMEN1
SCHEMBL7315550 0.86 ALDH1A1 (0.43) HSP90AA1ALDH1A1MAPTPOLBMEN1
SCHEMBL7316532 0.85 ALDH1A1 (0.44) HSP90AA1ALDH1A1MAPTPOLBMEN1
SCHEMBL7323686 0.85 ALDH1A1 (0.46) ALDH1A1MAPTPOLBMEN1KMT2A

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