SCHEMBL7337649

SCHEMBL7337649

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCNCC1)c1cc[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CTSS P25774 1/20 0.34
SLC6A4 P31645 2/20 0.34
TSHR P16473 3/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A2 P23975 1/20 0.30
LMNA P02545 1/20 0.30
LTA4H P09960 1/20 0.30
PLG P00747 2/20 0.30
PLAU P00749 2/20 0.30
NMUR2 Q9GZQ4 1/20 0.30
NMUR1 Q9HB89 1/20 0.30
REN P00797 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7339105 0.91 HSD17B10 (0.37) KMT2ACTSSTSHRGAACYP2C19
SCHEMBL7339877 0.90 LMNA (0.38) KMT2ACTSSGAACYP2C19ALDH1A1
SCHEMBL7334862 0.89 RORC (0.33) KMT2ACTSS
SCHEMBL7338647 0.88 CTSS (0.33) KMT2ACTSS
SCHEMBL7338555 0.88 REN (0.36) KMT2ACTSSTSHRGAACYP2C19
SCHEMBL7332502 0.85 KMT2A (0.41) KMT2ACTSSSLC6A4REN
SCHEMBL7333146 0.85 KMT2A (0.40) KMT2ACTSSSLC6A4LMNAREN
SCHEMBL7332211 0.83 REN (0.39) KMT2ASLC6A4TSHRCYP2C19PLG
SCHEMBL7331323 0.82 KMT2A (0.41) KMT2ACTSSSLC6A4SLC6A2LTA4H
SCHEMBL7338907 0.82 KMT2A (0.41) KMT2ACTSSSLC6A4SLC6A2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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