SCHEMBL9026672

SCHEMBL9026672

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 9/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NMBR P28336 1/20 0.37
NR3C1 P04150 3/20 0.36
ECE1 P42892 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 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 0.86 KMT2A (0.40) GPR84MEN1KMT2ANMBRNR3C1
SCHEMBL9027253 0.86 KMT2A (0.40) GPR84MEN1KMT2ANMBRECE1
SCHEMBL9026078 0.85 KMT2A (0.40) GPR84MEN1KMT2ANMBRECE1
SCHEMBL9026147 0.85 KMT2A (0.40) GPR84MEN1KMT2ANMBRECE1
SCHEMBL9026638 0.84 KMT2A (0.39) GPR84MEN1KMT2ANMBRECE1
SCHEMBL9027273 0.83 KMT2A (0.38) GPR84MEN1KMT2ANMBRECE1
SCHEMBL9026084 0.82 KCNA5 (0.38) GPR84MEN1KMT2ANMBRECE1
SCHEMBL27257402 0.81 MEN1 (0.41) GPR84MEN1KMT2ANMBRNR3C1
SCHEMBL9026748 0.81 CA12 (0.35) L3MBTL1MMP2
SCHEMBL9026548 0.81 HPGD (0.37) L3MBTL1MMP2

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