SCHEMBL7246751

SCHEMBL7246751

O=C(COc1cccc2c1C(S(=O)(=O)c1ccccc1)CS2(=O)=O)NCc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
MAPK1 P28482 1/20 0.54
PKM P14618 1/20 0.49
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 2/20 0.45
NAMPT P43490 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7246746 0.92 NOTUM (0.55) NOTUMMAPK1PKMALDH1A1POLB
SCHEMBL7132100 0.85 HTR1A (0.43) ALDH1A1POLBLMNANAMPTMEN1
SCHEMBL7159224 0.83 NAMPT (0.53) ALDH1A1HPGDLMNACYP2C9HTT
SCHEMBL7129966 0.83 CYP11B1 (0.43) NAMPT
SCHEMBL7164804 0.82 PDE4A (0.39)
SCHEMBL7127106 0.81 ALDH1A1 (0.54) MAPK1ALDH1A1POLBHSD17B10LMNA
SCHEMBL7134615 0.81 NAMPT (0.48) ALDH1A1LMNACYP1A2CYP3A4HTT
SCHEMBL7131457 0.80 LMNA (0.47) MAPK1ALDH1A1LMNACYP2C9HTT
SCHEMBL7132433 0.80 LGALS1 (0.45) MAPK1PKMALDH1A1POLBHSD17B10
SCHEMBL7127066 0.79 L3MBTL1 (0.42) ALDH1A1POLBHPGD

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