SCHEMBL9437599

SCHEMBL9437599

O=C1CN(S(=O)(=O)C[C@@H](Cc2ccccc2)C(=O)C2=N[N]C=C2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
GFER P55789 1/20 0.35
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
KMT2A Q03164 2/20 0.34
RORC P51449 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32
F2 P00734 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
CPA3 P15088 1/20 0.30
FOLH1 Q04609 1/20 0.30
CYP1A2 P05177 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL9437590 0.84 KMT2A (0.37) CTSSGFERALOX5APFEN1KMT2A
SCHEMBL9437595 0.84 KMT2A (0.37) CTSSGFERALOX5APFEN1KMT2A
SCHEMBL7337459 0.83 CYP1A2 (0.44) CTSSGFERKMT2ARORCL3MBTL1
SCHEMBL9437553 0.82 F2 (0.36) GFERALOX5APFEN1KMT2ARORC
SCHEMBL9437665 0.79 F2 (0.42) CTSSF2
SCHEMBL7337786 0.78 GAA (0.39) CTSSGFERKMT2ARORCL3MBTL1
SCHEMBL9437581 0.78 CTSS (0.35) CTSSGFERALOX5APFEN1KMT2A
SCHEMBL9437633 0.78 CTSS (0.37) CTSSGFERALOX5APFEN1KMT2A
SCHEMBL9437544 0.76 ALOX5AP (0.35) CTSSGFERALOX5APFEN1KMT2A
SCHEMBL7334299 0.71 MME (0.47)

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-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed