SCHEMBL7799478

SCHEMBL7799478

CCCCOC(=O)c1cc(NCC#Cc2ccc(N(C(=O)CC(=O)OC)C(C)C)c(C)c2)ccc1C(=N)N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL7806874 0.86 KDM4E (0.31)
SCHEMBL6563647 0.82 F7 (0.36)
SCHEMBL7799479 0.81 NR1I2 (0.36) MEN1GAAMAPTHTTKMT2A
SCHEMBL7806157 0.74 MEN1 (0.38) MEN1GAAKMT2A
SCHEMBL6563600 0.73 F7 (0.39)
SCHEMBL6564919 0.72 PTPN11 (0.35) ACACB
SCHEMBL6563363 0.72 F2 (0.38) MAPT
SCHEMBL7804873 0.71 TSHR (0.44) MEN1GAAMAPTHTTKMT2A
SCHEMBL6561947 0.71 F10 (0.36)
SCHEMBL7675036 0.70 F10 (0.42) MEN1GAAMAPTKMT2A

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-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