SCHEMBL7015251

SCHEMBL7015251

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3c(C)c(C#N)c(C)nc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KDM4E B2RXH2 7/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
PABPC1 P11940 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
SCHEMBL6385097 0.82 POLB (0.36) TSHRKDM4EMAPTPOLBHPGD
SCHEMBL7016110 0.79
SCHEMBL1625561 0.78 HSD17B10 (0.38) HSD17B10TSHRCASP1CASP7KDM4E
SCHEMBL7104173 0.78 MAPT (0.37) HSD17B10TSHRCASP1CASP7KDM4E
SCHEMBL7017481 0.77 KMT2A (0.40) TSHRKDM4EMAPTPOLBALDH1A1
SCHEMBL1625832 0.76 TSHR (0.36) HSD17B10TSHRCASP1CASP7KDM4E
SCHEMBL7096928 0.75 PSEN1 (0.35) HSD17B10TSHRMAPTPOLBALDH1A1
SCHEMBL7017841 0.75 ALDH1A1 (0.41) MAPTPOLBALDH1A1HPGDGAA
SCHEMBL7098290 0.74 PTGER4 (0.48) TSHRKMT2AMEN1
SCHEMBL28008223 0.74 KMT2A (0.44) TSHRKDM4EMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed