SCHEMBL9027253

SCHEMBL9027253

CC(C)Cc1c(OCc2ccccc2)nc(Cc2c[nH]c3ccccc23)c(Br)[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GPR84 Q9NQS5 4/20 0.37
NMBR P28336 2/20 0.37
ECE1 P42892 2/20 0.36
MET P08581 1/20 0.36
SLC6A2 P23975 2/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL9027840 0.89 KMT2A (0.40) KMT2AMEN1GPR84NMBRECE1
SCHEMBL9026147 0.88 KMT2A (0.40) KMT2AMEN1GPR84NMBRECE1
SCHEMBL9026078 0.88 KMT2A (0.40) KMT2AMEN1GPR84NMBRECE1
SCHEMBL9026638 0.88 KMT2A (0.39) KMT2AMEN1GPR84NMBRECE1
SCHEMBL9026672 0.86 GPR84 (0.40) KMT2AMEN1GPR84NMBRECE1
SCHEMBL9027273 0.86 KMT2A (0.38) KMT2AMEN1GPR84NMBRECE1
SCHEMBL9026084 0.85 KCNA5 (0.38) KMT2AMEN1GPR84NMBRECE1
SCHEMBL9026203 0.83 KCNA5 (0.36) KMT2AMEN1GPR84NMBRECE1
SCHEMBL27258321 0.82 KMT2A (0.44) KMT2AMEN1GPR84NMBRECE1
SCHEMBL9027482 0.79 PCSK9 (0.38) KMT2AMEN1GPR84HTR1DSLC6A4

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