SCHEMBL6563622

SCHEMBL6563622

Cc1cc(C(=O)N(C)c2ccccc2)c(C)cc1C#CCN(C)c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
PPARG P37231 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
PGR P06401 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
GRM5 P41594 1/20 0.37
RORC P51449 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
TXK P42681 1/20 0.36
ITK Q08881 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL6565182 0.87 PPARG (0.41) KMT2APPARGEGLN1
SCHEMBL6563712 0.85 PLAU (0.47) PPARGEGLN1GRM5POLBEGFR
SCHEMBL7806877 0.73 PPARG (0.49) KMT2APPARGEGLN1MEN1NPC1
SCHEMBL6565295 0.72 PPARG (0.36) KMT2APPARGEGLN1MEN1POLB
SCHEMBL29273240 0.70 KMT2A (0.62) KMT2AMEN1NPC1PGRPOLB
SCHEMBL6574337 0.70 ALDH1A1 (0.42) KMT2AMEN1NPC1RORC
SCHEMBL6565956 0.70 PLAU (0.49) KMT2ANPC1ACACBEGFRERBB2
SCHEMBL1821084 0.69 KMT2A (0.60) KMT2AMEN1NPC1PGRGPBAR1
SCHEMBL6563935 0.68 ACACB (0.48) PPARGPOLBACACB
SCHEMBL5888740 0.67 GFER (0.40) PPARGEGLN1GRM5GFER

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