SCHEMBL6561903

SCHEMBL6561903

CC(C#Cc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MMP2 P08253 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
PRSS1 P07477 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL6561971 0.91 ALDH1A1 (0.48) RAB9AALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL7677322 0.85 ALDH1A1 (0.44) RAB9AALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL6563427 0.78 ACACB (0.49) ALDH1A1HPGDSMN1; SMN2L3MBTL1KMT2A
SCHEMBL3215328 0.77 ALDH1A1 (0.61) RAB9AALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL6563532 0.76 ALDH1A1 (0.44) RAB9AALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL13445156 0.72 MAPT (0.60) RAB9AALDH1A1HTTL3MBTL1MMP2
SCHEMBL13063666 0.72 MAPT (0.60) RAB9AALDH1A1HTTL3MBTL1MMP2
SCHEMBL1615179 0.72 ALDH1A1 (0.65) RAB9AALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL9967905 0.72 MAPT (0.60) RAB9AALDH1A1HTTL3MBTL1MMP2
SCHEMBL13063665 0.72 MAPT (0.60) RAB9AALDH1A1HTTL3MBTL1MMP2

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