SCHEMBL9027240

SCHEMBL9027240

O=c1[nH]c(Cc2c[nH]c3ccccc23)c(O)[n+]([O-])c1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
AHR P35869 4/20 0.46
SLC6A2 P23975 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MAPT P10636 3/20 0.43
CYP3A4 P08684 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTR6 P50406 1/20 0.42
HPGD P15428 1/20 0.42
DNMT1 P26358 3/20 0.40
CYP2C19 P33261 1/20 0.40
DNMT3B Q9UBC3 1/20 0.40
PKM P14618 1/20 0.40
TACR1 P25103 1/20 0.39

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
SCHEMBL9026490 0.93 KMT2A (0.48) KMT2AMEN1AHRSLC6A2FNTA
SCHEMBL9026459 0.91 KMT2A (0.47) KMT2AMEN1AHRSLC6A2FNTA
SCHEMBL9026254 0.85 MAPT (0.44) KMT2AMEN1AHRSLC6A2MAPT
SCHEMBL9026744 0.84 KMT2A (0.49) KMT2AMEN1AHRSLC6A2FNTA
SCHEMBL9026228 0.83 MEN1 (0.47) KMT2AMEN1AHRSLC6A2FNTA
SCHEMBL9026860 0.81 KMT2A (0.42) KMT2AMEN1AHRMAPTCYP3A4
SCHEMBL9025614 0.81 AHR (0.41) KMT2AMEN1AHRSLC6A2FNTA
SCHEMBL9027183 0.78 AHR (0.42) KMT2AMEN1AHRSLC6A2MAPT
SCHEMBL9026194 0.77 ECE1 (0.42) KMT2AMEN1AHRMAPTGPR84
SCHEMBL9025592 0.76 GPR84 (0.45) KMT2AMEN1AHRMAPTCYP3A4

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