SCHEMBL6562338

SCHEMBL6562338

Cn1ccnc1C(=O)c1ccc(C#CCNc2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LDHA P00338 9/20 0.43
LDHB P07195 9/20 0.43
MYC P01106 1/20 0.41
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
VNN1 O95497 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 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
SCHEMBL6563773 0.87 LDHA (0.42) GAALDHALDHBHTTALDH1A1
SCHEMBL6565363 0.87 GAA (0.41) GAALDHALDHBMYCHTT
SCHEMBL28865452 0.85 GAA (0.56) GAALDHALDHBMYCHTT
SCHEMBL6565441 0.78 KMT2A (0.46) HTTALDH1A1MAPTKMT2AVNN1
SCHEMBL6565480 0.78 GSK3B (0.47) ALDH1A1LMNAVNN1SMN1; SMN2
SCHEMBL6563532 0.78 ALDH1A1 (0.44) HTTALDH1A1LMNAMAPTKMT2A
SCHEMBL6565285 0.77 NPC1 (0.49) ALDH1A1MAPTVNN1
SCHEMBL6563630 0.76 LMNA (0.37) GAALDHALDHBMYCHTT
SCHEMBL6563651 0.73 MAPK13 (0.45) GAAHTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6563777 0.73 GSK3B (0.45) ALDH1A1MAPTKMT2A

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