SCHEMBL9026387

SCHEMBL9026387

COc1c(COS(C)(=O)=O)nc(OCc2ccccc2Cl)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
CSF1R P07333 1/20 0.32
RORC P51449 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MAPT P10636 3/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR35 Q9HC97 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TXNRD1 Q16881 1/20 0.31
MPO P05164 1/20 0.31

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
SCHEMBL9026447 0.87 CA1 (0.34) HDAC8ALDH1A1LMNAHPGDMAPK1
SCHEMBL9026359 0.86 HDAC8 (0.35) SCN9ACSF1RHDAC8MAPTS1PR4
SCHEMBL9026964 0.85 CSF1R (0.34) SCN9ACSF1RHDAC8MAPTS1PR4
SCHEMBL9026390 0.84 KDM4E (0.38) RORCHPGDTXNRD1MPOMAOB
SCHEMBL9026358 0.80 NR4A2 (0.39) SCN9AHDAC8MAPTS1PR4ALDH1A1
SCHEMBL9026031 0.78 PIN1 (0.35) RORCALDH1A1LMNAHPGDMAPK1
SCHEMBL9027641 0.76 ABCB1 (0.36) MAPTALDH1A1LMNAHPGDMAPK1
SCHEMBL9026300 0.74 PDE4A (0.33) RORC
SCHEMBL9026994 0.74 CA12 (0.34) HDAC8ALDH1A1LMNAHPGDMAPK1
SCHEMBL27257482 0.74 CA12 (0.34) ALDH1A1LMNAHPGDMAPK1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed