SCHEMBL9027273

SCHEMBL9027273

CC(C)Cc1c(OCc2ccccc2)nc(Cc2c[nH]c3ccccc23)c(OCCc2ccccc2)[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NMBR P28336 2/20 0.37
GPR84 Q9NQS5 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ECE1 P42892 2/20 0.34
MET P08581 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL9026084 0.92 KCNA5 (0.38) KMT2AMEN1NMBRGPR84ECE1
SCHEMBL9026147 0.91 KMT2A (0.40) KMT2AMEN1NMBRGPR84MAPT
SCHEMBL9026638 0.90 KMT2A (0.39) KMT2AMEN1NMBRGPR84MAPT
SCHEMBL9027840 0.88 KMT2A (0.40) KMT2AMEN1NMBRGPR84MAPT
SCHEMBL9027253 0.86 KMT2A (0.40) KMT2AMEN1NMBRGPR84MAPT
SCHEMBL9026203 0.85 KCNA5 (0.36) KMT2AMEN1NMBRGPR84MAPT
SCHEMBL9026078 0.85 KMT2A (0.40) KMT2AMEN1NMBRGPR84MAPT
SCHEMBL9026672 0.83 GPR84 (0.40) KMT2AMEN1NMBRGPR84MAPT
SCHEMBL9027482 0.82 PCSK9 (0.38) KMT2AMEN1GPR84MAPTKDM4E
SCHEMBL9025363 0.82 LTA4H (0.46) KMT2AMEN1GPR84MAPTKDM4E

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