SCHEMBL9026299

SCHEMBL9026299

COc1c(Cc2c[nH]c3ccc(Br)cc23)nc(OC(=O)c2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.37
CCKBR P32239 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR4A2 P43354 1/20 0.35
MTNR1B P49286 2/20 0.34
MTNR1A P48039 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRB2 P47870 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL9027409 0.81 MAPT (0.42) GPR84MAPTTDP1MEN1KMT2A
SCHEMBL9026979 0.78 GPR84 (0.41) GPR84CYP3A4MAPTTDP1MEN1
SCHEMBL9027306 0.78 TACR1 (0.41) TP53MAPTTSHR
SCHEMBL9026402 0.76 GPR84 (0.45) GPR84MAPTMTNR1BMTNR1AMEN1
SCHEMBL9027482 0.76 PCSK9 (0.38) GPR84MAPTMEN1KMT2A
SCHEMBL9025363 0.76 LTA4H (0.46) GPR84MAPTMEN1KMT2A
SCHEMBL9026147 0.75 KMT2A (0.40) GPR84CYP3A4MAPTTDP1MEN1
SCHEMBL9027221 0.74 PDE10A (0.36) MAPTMEN1KMT2A
SCHEMBL9026518 0.73 GPR84 (0.44) GPR84NR4A2MTNR1BMTNR1A
SCHEMBL9026185 0.73 GPR84 (0.41) GPR84CYP3A4MAPTTDP1MEN1

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 1 patent. 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