SCHEMBL7696309

SCHEMBL7696309

CCOc1cccc(CNCc2cccc3c2C(S(=O)(=O)c2ccccc2)CS3(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 1/20 0.41
KAT6A Q92794 1/20 0.39
BCHE P06276 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ROCK2 O75116 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL7133437 0.92 KMT2A (0.46) SMN1; SMN2HTR6KMT2AMEN1KDM4E
SCHEMBL7696310 0.90 SMN1; SMN2 (0.43) SMN1; SMN2HTR6KAT6ABCHEKMT2A
SCHEMBL7132601 0.87 PKM (0.38) SMN1; SMN2BCHEKMT2AKDM4EALDH1A1
SCHEMBL7693051 0.86 KMT2A (0.46) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7160031 0.85 KMT2A (0.45) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7135184 0.85 KDM4E (0.41) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL7127514 0.84 CXCR4 (0.38) HTR6BCHEKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7158389 0.84 KDM4E (0.41) KMT2AMEN1KDM4EALDH1A1CA1
SCHEMBL7129574 0.83 MEN1 (0.42) SMN1; SMN2HTR6KMT2AMEN1KDM4E
SCHEMBL7130582 0.81 SSTR3 (0.37) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1

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 1 patent. 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 disclosed