SCHEMBL6565182

SCHEMBL6565182

Cc1cc(C(=O)N(C)c2ccccn2)c(C)cc1C#CCN(C)c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
HCRTR1 O43613 11/20 0.35
HCRTR2 O43614 11/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRMT5 O14744 2/20 0.33
KMT2A Q03164 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
SCHEMBL6563622 0.87 KMT2A (0.43) PPARGEGLN1KMT2A
SCHEMBL6565295 0.86 PPARG (0.36) PPARGALDH1A1TP53MAPTEGLN1
SCHEMBL6574043 0.76 RORC (0.41) ALDH1A1TP53MAPTHPGDNPSR1
SCHEMBL6563712 0.72 PLAU (0.47) PPARGEGLN1
SCHEMBL6561967 0.72 F2 (0.42) ALDH1A1TP53MAPTPRMT5KMT2A
SCHEMBL7806877 0.67 PPARG (0.49) PPARGALDH1A1MAPTHPGDEGLN1
SCHEMBL6563935 0.64 ACACB (0.48) PPARGHPGD
SCHEMBL8548179 0.64 L3MBTL1 (0.38) ALDH1A1TP53MAPTHPGDNPSR1
SCHEMBL5886056 0.62 MAPK14 (0.38) PPARGHCRTR1HCRTR2
SCHEMBL5888740 0.62 GFER (0.40) PPARGEGLN1HCRTR1HCRTR2

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed