SCHEMBL7696310

SCHEMBL7696310

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 2/20 0.42
BCHE P06276 3/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KAT6A Q92794 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CHRM2 P08172 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
SCHEMBL7133441 0.92 KMT2A (0.44) SMN1; SMN2HTR6BCHEKMT2AMEN1
SCHEMBL7696309 0.90 SMN1; SMN2 (0.45) SMN1; SMN2HTR6BCHEKMT2AMEN1
SCHEMBL7132604 0.86 CA1 (0.37) SMN1; SMN2BCHEALDH1A1CA1CA2
SCHEMBL7693053 0.86 KMT2A (0.46) SMN1; SMN2HTR6KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL7160026 0.85 KMT2A (0.45) SMN1; SMN2HTR6KMT2AMEN1KDM4E
SCHEMBL7135186 0.85 KDM4E (0.40) KMT2AMEN1KDM4ECA1CA2
Hydrochloric Acid SCHEMBL7158383 0.84 KDM4E (0.39) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7127515 0.84 HTR6 (0.36) HTR6BCHEKMT2AKDM4EALDH1A1
SCHEMBL7129579 0.83 SMN1; SMN2 (0.43) SMN1; SMN2HTR6KMT2AMEN1KDM4E
SCHEMBL7123801 0.82 RAB9A (0.36) SMN1; SMN2KDM4EALDH1A1CA1CA2

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