SCHEMBL7693053

SCHEMBL7693053

COc1cc(CNCc2cccc3c2C(S(=O)(=O)c2ccccc2)CS3(=O)=O)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.37
ABCB1 P08183 1/20 0.37
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HTR6 P50406 1/20 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 SCHEMBL7160026 0.99 KMT2A (0.45) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL7133441 0.94 KMT2A (0.44) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL7693051 0.90 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL7133168 0.89 KDM4E (0.49) KMT2AMEN1KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL7160031 0.89 KMT2A (0.45) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL7126147 0.88 APLNR (0.47) KMT2AMEN1KDM4EALDH1A1
SCHEMBL7129579 0.87 SMN1; SMN2 (0.43) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL7132604 0.87 CA1 (0.37) ALDH1A1HTTSMN1; SMN2PKMCA1
SCHEMBL7164367 0.86 RAB9A (0.42) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL7696310 0.86 SMN1; SMN2 (0.43) KMT2AMEN1KDM4EALDH1A1TDP1

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