SCHEMBL6563737

SCHEMBL6563737

Cc1cc(C#CCNc2ccccc2)ccc1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
SRD5A2 P31213 1/20 0.41
GRM5 P41594 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK14 Q16539 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
AKR1C3 P42330 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 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
SCHEMBL6563213 0.92 KMT2A (0.39) EGLN1SRD5A2GRM5MAPK13MAPK12
SCHEMBL6563277 0.90 F2 (0.41) EGLN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6565231 0.79 GAA (0.41) KDM4EHPGDGAAKMT2ALMNA
SCHEMBL6563651 0.79 MAPK13 (0.45) EGLN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6563680 0.78 PPARG (0.40) KDM4EL3MBTL1HPGDGAALMNA
SCHEMBL6565427 0.78 VNN1 (0.46) EGLN1GRM5L3MBTL1RAB9AKCNK3
SCHEMBL7675063 0.77 F2 (0.48) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL29712728 0.76 SMN1; SMN2 (0.50) EGLN1GRM5TDP1ALDH1A1HPGD
SCHEMBL6563325 0.76 KMT2A (0.50) EGLN1GRM5TDP1MAPK13MAPK12
SCHEMBL6563532 0.76 ALDH1A1 (0.44) EGLN1MAPK13MAPK12MAPK11MAPK14

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed