SCHEMBL9026964

SCHEMBL9026964

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.34
MPO P05164 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR35 Q9HC97 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9026359 0.91 HDAC8 (0.35) CSF1RMPOHDAC8MAPTRAB9A
SCHEMBL9026387 0.85 SCN9A (0.36) CSF1RMPOHDAC8MAPTRAB9A
SCHEMBL9026358 0.82 NR4A2 (0.39) HDAC8MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL9026581 0.75 ALDH1A1 (0.37) HPGDALDH1A1LMNAMAPK1NPSR1
SCHEMBL27257382 0.71 ALDH1A1 (0.37) HPGDALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL9027108 0.71 ALDH1A1 (0.37) RAB9AHPGDALDH1A1LMNAMAPK1
SCHEMBL9026181 0.71 HTR2C (0.33) HPGDALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL9025945 0.70 LMNA (0.36) HPGDALDH1A1LMNAMAPK1NPSR1
SCHEMBL9026233 0.69 ALDH1A1 (0.40) SMN1; SMN2HPGDALDH1A1LMNAMAPK1
SCHEMBL9026147 0.69 KMT2A (0.40) MAPTALDH1A1LMNAMAPK1TDP1

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 4 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
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN 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