SCHEMBL7017481

SCHEMBL7017481

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3cc(C)c(C)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 3/20 0.40
PABPC1 P11940 1/20 0.40
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 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
SCHEMBL7015218 0.89 MEN1 (0.39) KMT2AMEN1POLBPABPC1ESR1
SCHEMBL6386347 0.85 MEN1 (0.39) KMT2AMEN1POLBPABPC1ESR1
SCHEMBL7097040 0.84 ESR1 (0.40) KMT2AMEN1POLBPABPC1ESR1
SCHEMBL28008223 0.84 KMT2A (0.44) KMT2AMEN1POLBPABPC1ESR1
SCHEMBL28008635 0.83 MEN1 (0.44) KMT2AMEN1POLBPABPC1ESR1
SCHEMBL7018959 0.82 MEN1 (0.43) KMT2AMEN1POLBPABPC1TP53
SCHEMBL7019911 0.81 PDE10A (0.45) KMT2AMEN1POLBPABPC1
SCHEMBL7016110 0.80
SCHEMBL6385097 0.79 POLB (0.36) KMT2AMEN1POLBPABPC1HPGD
SCHEMBL7098251 0.78 SMN1; SMN2 (0.39) KMT2AMEN1POLBPABPC1ESR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed