SCHEMBL7690652

SCHEMBL7690652

O=S1(=O)CC(S(=O)(=O)c2ccccc2)c2c(CNCCCc3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.43
ALDH1A1 P00352 1/20 0.39
BCHE P06276 3/20 0.38
TPSAB1 Q15661 1/20 0.38
SIGMAR1 Q99720 6/20 0.37
SLC6A5 Q9Y345 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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 SCHEMBL7163974 0.99 MPO (0.42) MPOALDH1A1BCHETPSAB1SIGMAR1
SCHEMBL7132670 0.94 MPO (0.40) MPOALDH1A1BCHEHTR2AKCNH2
SCHEMBL7690650 0.89 MPO (0.44) MPOALDH1A1BCHETPSAB1SIGMAR1
SCHEMBL7132604 0.88 CA1 (0.37) ALDH1A1BCHEHTR2APOLBCA12
Hydrochloric Acid SCHEMBL7163980 0.88 MPO (0.44) MPOALDH1A1BCHETPSAB1SIGMAR1
SCHEMBL7133548 0.83 TERT (0.38) ALDH1A1HTR2A
SCHEMBL7132379 0.83 MEN1 (0.38) HTR2AKCNH2
SCHEMBL7135186 0.82 KDM4E (0.40) CA12CA1CA2CA9NPC1
SCHEMBL7132667 0.82 MPO (0.42) MPOALDH1A1BCHESLC6A5CA12
SCHEMBL7130630 0.82 CA1 (0.32) CA1CA2CA9

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