SCHEMBL9437544

SCHEMBL9437544

Nc1n[c]c(C(=O)[C@@H](Cc2ccccc2)CS(=O)(=O)N2CCNC(=O)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
CTSS P25774 1/20 0.34
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.32
F2 P00734 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 1/20 0.30
PKM P14618 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
SCHEMBL9437516 0.83 REN (0.38) CTSSKMT2A
SCHEMBL9437644 0.83 LMNA (0.41) CTSSKMT2A
SCHEMBL7337459 0.82 CYP1A2 (0.44) CTSSGFERKMT2AL3MBTL1RORC
SCHEMBL9437581 0.80 CTSS (0.35) ALOX5APFEN1CTSSGFERKMT2A
SCHEMBL9437584 0.80 CTSS (0.34) CTSSKMT2A
SCHEMBL9437633 0.79 CTSS (0.37) ALOX5APFEN1CTSSGFERKMT2A
SCHEMBL9437665 0.78 F2 (0.42) CTSSF2
SCHEMBL9437590 0.77 KMT2A (0.37) ALOX5APFEN1CTSSGFERKMT2A
SCHEMBL9437595 0.77 KMT2A (0.37) ALOX5APFEN1CTSSGFERKMT2A
SCHEMBL9437599 0.76 CTSS (0.36) ALOX5APFEN1CTSSGFERKMT2A

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