SCHEMBL7799453

SCHEMBL7799453

CCCCOC(=O)N=C(N)c1ccc(NCC#Cc2ccc(C(=O)N3CCCC3)c(OC)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7804882 0.89 HPGD (0.38) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7806159 0.87 ALDH1A1 (0.36) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7809959 0.85 SMN1; SMN2 (0.39) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7806909 0.84 ALDH1A1 (0.39) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7809950 0.82 PIK3CA (0.40) ALDH1A1SMN1; SMN2LMNAMAPTPIK3CA
SCHEMBL7806927 0.82 HPGD (0.41) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6563220 0.81 HPGD (0.44) HPGDMEN1KMT2AHSD17B10LMNA
SCHEMBL7806152 0.81 HRH3 (0.37) ALDH1A1GAAHSD11B1L3MBTL1
SCHEMBL7804851 0.79 HRH3 (0.36) HSD11B1L3MBTL1
SCHEMBL7806160 0.78 MEN1 (0.40) MEN1KMT2AMAPTL3MBTL1

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