SCHEMBL7337459

SCHEMBL7337459

O=C1CN(S(=O)(=O)CC(Cc2ccccc2)C(=O)O)CCN1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CPA3 P15088 3/20 0.43
FOLH1 Q04609 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.41
CPA1 P15085 4/20 0.40
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CTSS P25774 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
RORC P51449 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
SCHEMBL7337786 0.88 GAA (0.39) CYP1A2GFERKMT2ACTSSL3MBTL1
SCHEMBL9437595 0.83 KMT2A (0.37) CYP1A2CPA3FOLH1GFERKMT2A
SCHEMBL9437590 0.83 KMT2A (0.37) CYP1A2CPA3FOLH1GFERKMT2A
SCHEMBL9437599 0.83 CTSS (0.36) CYP1A2CPA3FOLH1GFERKMT2A
SCHEMBL9437665 0.83 F2 (0.42) CTSS
SCHEMBL9437544 0.82 ALOX5AP (0.35) GFERKMT2ACTSSL3MBTL1PKM
SCHEMBL9437581 0.81 CTSS (0.35) GFERKMT2ACTSSL3MBTL1PKM
SCHEMBL9437633 0.81 CTSS (0.37) GFERKMT2ACTSSL3MBTL1PKM
SCHEMBL7334299 0.80 MME (0.47)
SCHEMBL7333389 0.79 CYP1A2 (0.54) CYP1A2CPA3FOLH1KMT2ACPA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456185-B1 Renin inhibitors ABBOTT LAB (US) 1995-05-31 EP disclosed
US-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed
US-5310740-A Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction ABBOTT LABORATORIES (US) 1994-05-10 US disclosed
US-5284849-A Treating hypertension and congestive heart failure ABBOTT LABORATORIES (US) 1994-02-08 US disclosed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 EP disclosed