SCHEMBL8799254

SCHEMBL8799254

CCOC(=O)CSCc1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 4/20 0.40
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NLRP3 Q96P20 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 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
SCHEMBL7828330 0.89 KMT2A (0.43) KMT2AMEN1POLBMAPTLMNA
SCHEMBL7829801 0.86 KMT2A (0.41) KMT2AMEN1POLBMAPTLMNA
SCHEMBL8341845 0.85 MEN1 (0.39) KMT2AMEN1POLBMAPTLMNA
SCHEMBL7816995 0.84 MEN1 (0.41) KMT2AMEN1POLBMAPTLMNA
SCHEMBL7832320 0.83 MAPT (0.42) KMT2AMEN1POLBMAPTLMNA
SCHEMBL7815783 0.81 MEN1 (0.44) KMT2AMEN1POLBMAPTLMNA
SCHEMBL7827815 0.81 MEN1 (0.44) KMT2AMEN1POLBMAPTLMNA
SCHEMBL7823605 0.81 KMT2A (0.41) KMT2AMEN1POLBMAPTLMNA
SCHEMBL8345228 0.80 PTGES (0.43) KMT2AMEN1POLBMAPTHTT
SCHEMBL7825342 0.80 MEN1 (0.40) KMT2AMEN1POLBMAPTLMNA

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
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed