SCHEMBL7443307

SCHEMBL7443307

NC(Cc1ccccc1)C(O)CSC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.43
REN P00797 1/20 0.41
EPHX1 P07099 1/20 0.41
SLC15A1 P46059 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ANPEP P15144 3/20 0.38
ERAP2 Q6P179 2/20 0.38
METAP2 P50579 2/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KIF11 P52732 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36

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
Hydrochloric Acid SCHEMBL7428333 0.99 CSNK1E (0.43) CSNK1ERENEPHX1SLC15A1KMT2A
SCHEMBL7387419 0.75 CYP1A2 (0.54) RENKMT2AALDH1A1GAARAB9A
SCHEMBL4695118 0.74 ANPEP (0.54) CSNK1EKMT2AANPEPERAP2F2
SCHEMBL4693744 0.74 ANPEP (0.54) CSNK1EKMT2AANPEPERAP2F2
SCHEMBL4047072 0.74 ANPEP (0.54) CSNK1EKMT2AANPEPERAP2F2
SCHEMBL5720870 0.74 ANPEP (0.54) CSNK1EKMT2AANPEPERAP2F2
SCHEMBL10871667 0.74 EPHX2 (0.45) CSNK1EEPHX1SLC15A1SMN1; SMN2ANPEP
SCHEMBL27421495 0.74 CSNK1E (0.49) CSNK1EEPHX1SLC15A1ANPEPALPI
Hydrochloric Acid SCHEMBL5930110 0.73 ANPEP (0.53) CSNK1EKMT2AANPEPERAP2F2
SCHEMBL5217605 0.73 SLC6A4 (0.48) CSNK1ERAB9AMETAP2F2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed