SCHEMBL6563699

SCHEMBL6563699

Cc1ccc(C(=O)NCCc2ccccc2)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
F2 P00734 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SYK P43405 1/20 0.44
TP53 P04637 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
F10 P00742 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SPR P35270 1/20 0.42

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
SCHEMBL6563455 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1SYK
SCHEMBL6561959 0.83 MLYCD (0.41) RAB9ANPC1F2F10
SCHEMBL6561871 0.81 KMT2A (0.46) SMN1; SMN2HDAC6F10HDAC1
SCHEMBL6565051 0.80 F10 (0.50) RAB9ANPC1F2SMN1; SMN2L3MBTL1
SCHEMBL6563250 0.79 PLAU (0.54) RAB9ANPC1F2F10
SCHEMBL7678092 0.74 F2 (0.40) RAB9AF2L3MBTL1F10ST14
SCHEMBL6563517 0.74 F2 (0.45) F2L3MBTL1F10
SCHEMBL6565956 0.72 PLAU (0.49) RAB9ANPC1F2F10
SCHEMBL3249716 0.72 RAB9A (0.65) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6565690 0.71 PLAU (0.54) RAB9ANPC1F2F10

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed