SCHEMBL21291431

SCHEMBL21291431

Cc1cc(C)c2c(c1)c1cc(-c3cc(C)c4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.40
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPY5R Q15761 2/20 0.35
RXRA P19793 1/20 0.34
PSMB5 P28074 1/20 0.34
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
MTOR P42345 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
NR3C1 P04150 2/20 0.33
AVPR1A P37288 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL14979133 0.97 PTGER4 (0.40) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL17234510 0.86 KDM4E (0.45) PTGER4KDM4EATML3MBTL1RXFP1
SCHEMBL19570147 0.85 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL22519636 0.85 L3MBTL1 (0.46) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL22519608 0.84 L3MBTL1 (0.44) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL20258107 0.83 PTGER4 (0.37) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL21291465 0.83 L3MBTL1 (0.43) KDM4EL3MBTL1RXRAPSMB5PIK3CD
SCHEMBL30646340 0.83 L3MBTL1 (0.43) KDM4EL3MBTL1RXRAPSMB5PIK3CD
SCHEMBL20251476 0.83 KDM4E (0.46) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL14749065 0.82 ATM (0.45) PTGER4KDM4EATML3MBTL1NPY5R

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
US-20190259947-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-08-22 US disclosed