SCHEMBL8705376

SCHEMBL8705376

COC(=O)c1cc(S(C)(=O)=O)c(N2CCCC(O)C2)cc1N

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38

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
SCHEMBL8700175 0.88 KDM4E (0.36) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8705336 0.87 ALDH1A1 (0.37) NPSR1ALDH1A1MAPT
SCHEMBL8706344 0.86 SYK (0.39) KDM4EALDH1A1
SCHEMBL8700566 0.85 KDM4E (0.55) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8699639 0.83 SLC9A1 (0.49)
SCHEMBL8704819 0.75 BTK (0.39) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8700295 0.74 SLC9A1 (0.58)
SCHEMBL8700058 0.74 SLC9A1 (0.48)
SCHEMBL23850357 0.73 RAB9A (0.48) KDM4ERAB9AMAPTSMARCA2SMARCA4
SCHEMBL23850489 0.73 RAB9A (0.48) KDM4ERAB9AMAPTSMARCA2SMARCA4

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed