SCHEMBL7250100

SCHEMBL7250100

CCCCCCOc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)ccc2c1C(S(=O)(=O)c1ccccc1)CS2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.37
HTR2A P28223 6/20 0.37
HTR1A P08908 4/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RBP4 P02753 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HCRTR1 O43613 1/20 0.33
GRM5 P41594 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7132031 1.00 DRD2 (0.37) DRD2HTR2AHTR1AKDM4ELMNA
SCHEMBL7134450 0.97 DRD2 (0.38) DRD2HTR2AHTR1APOLBPKM
SCHEMBL7250095 0.92 POLB (0.37) DRD2HTR2AHTR1AKDM4ELMNA
SCHEMBL7132028 0.92 POLB (0.37) DRD2HTR2AHTR1AKDM4ELMNA
SCHEMBL7123806 0.91 KMT2A (0.40) DRD2HTR2ALMNAPOLBPKM
SCHEMBL7134448 0.89 POLB (0.38) DRD2HTR2APOLBPKMRBP4
SCHEMBL7126479 0.88 SCN9A (0.39) LMNAKMT2AMEN1TSHR
SCHEMBL7131103 0.88 SCN9A (0.39) LMNAKMT2AMEN1TSHR
SCHEMBL7134899 0.87 HTT (0.40) DRD2HTR2ALMNAPOLBPKM
SCHEMBL7127475 0.85 HPGD (0.41) LMNAKMT2AMEN1TSHR

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 5 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
US-6555555-B1 Inhibitors of interleukin-6 and/or interleukin-12; for example 4,5-dimethyl-1,1-dioxidebenzo(b)thiophene; treating various inflammatory diseases, autoimmune diseases, cancer, osteoporosis ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-29 US disclosed
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 disclosed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed