SCHEMBL6561871

SCHEMBL6561871

Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
F10 P00742 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
LIMK2 P53671 6/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.41
LIMK1 P53667 2/20 0.41
HTT P42858 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAMPT P43490 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL6561959 0.91 MLYCD (0.41) F10NAMPT
SCHEMBL6563250 0.87 PLAU (0.54) KMT2AF10SIRT2HTT
SCHEMBL6565333 0.84 MEN1 (0.40) KMT2AMEN1LIMK2ALDH1A1SMN1; SMN2
SCHEMBL6563517 0.81 F2 (0.45) KMT2AMEN1F10ALDH1A1GAA
SCHEMBL7806883 0.81 NR1I2 (0.39) KMT2AMEN1SIRT2LIMK2ALDH1A1
SCHEMBL6563699 0.81 RAB9A (0.47) F10SMN1; SMN2HDAC1HDAC6
SCHEMBL6565690 0.79 PLAU (0.54) KMT2AF10SIRT2HTT
SCHEMBL7673677 0.79 CNR2 (0.42) ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6565956 0.78 PLAU (0.49) KMT2AF10SIRT2HTT
SCHEMBL7672248 0.77 F2 (0.40) F10

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