SCHEMBL8466797

SCHEMBL8466797

[CH]CSC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
GSK3B P49841 2/20 0.46
PTPN1 P18031 1/20 0.46
GPR139 Q6DWJ6 1/20 0.45
CES1 P23141 4/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CES2 O00748 3/20 0.44
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TRPA1 O75762 1/20 0.41

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
SCHEMBL16047247 0.81 KMT2A (0.52) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL1765880 0.81 KMT2A (0.45) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL8468500 0.80 LMNA (0.42) KMT2AMAPTTDP1MAPK1CYP3A4
SCHEMBL31315054 0.79 KMT2A (0.50) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL1520392 0.77 KMT2A (0.58) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL4201591 0.77 KMT2A (0.49) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL7909243 0.77 KMT2A (0.49) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL1641518 0.77 HDAC3 (0.55) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL11421328 0.77 ALDH1A1 (0.52) KMT2AGSK3BPTPN1GPR139CES1
SCHEMBL31131464 0.77 KMT2A (0.49) KMT2AGSK3BPTPN1GPR139CES1

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-5869471-A Methods for the treatment of arthritis using phosphonates and NSAIDS THE PROCTOR & GAMBLE COMPANY (US) 1999-02-09 US disclosed
US-5824661-A TREATMENT OF OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-10-20 US disclosed