SCHEMBL7690650

SCHEMBL7690650

O=S(=O)(c1ccccc1)C1CS(O)(O)c2cccc(CNCCCc3ccccc3)c21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.44
ALDH1A1 P00352 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
BCHE P06276 2/20 0.38
TPSAB1 Q15661 1/20 0.37
SIGMAR1 Q99720 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FKBP1A P62942 2/20 0.35

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 SCHEMBL7163980 0.99 MPO (0.44) MPOALDH1A1SLC6A5BCHETPSAB1
SCHEMBL7132667 0.94 MPO (0.42) MPOALDH1A1SLC6A5BCHENPC1
SCHEMBL7690652 0.89 MPO (0.43) MPOALDH1A1SLC6A5BCHETPSAB1
SCHEMBL7132601 0.88 PKM (0.38) ALDH1A1BCHERAB9ACA1CA2
Hydrochloric Acid SCHEMBL7163974 0.88 MPO (0.42) MPOALDH1A1SLC6A5BCHETPSAB1
SCHEMBL7133546 0.84 TERT (0.37) ALDH1A1
SCHEMBL7132375 0.84 MEN1 (0.40) ALDH1A1HTR2AKCNH2
SCHEMBL7691373 0.83 ALDH1A1 (0.40) ALDH1A1BCHE
SCHEMBL7135184 0.83 KDM4E (0.41) ALDH1A1NPC1RAB9A
SCHEMBL7130628 0.82 GAA (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed