SCHEMBL8624634

SCHEMBL8624634

CCOC(=O)C1CCCN(CCc2ccncc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
TLR4 O00206 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8616963 0.78 HRH3 (0.47) HRH3MEN1KMT2AALDH1A1TDP1
SCHEMBL14345645 0.76 MEN1 (0.59) MEN1KMT2AALDH1A1L3MBTL1NPC1
Hydrochloric Acid SCHEMBL10813366 0.75 MEN1 (0.58) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL7371673 0.74 ITGB3 (0.51) HRH3MEN1KMT2AALDH1A1TDP1
SCHEMBL16609900 0.73 MEN1 (0.47) MEN1KMT2AALDH1A1LMNATLR4
SCHEMBL24878938 0.73 L3MBTL1 (0.42) MEN1KMT2AALDH1A1TLR4L3MBTL1
SCHEMBL8617256 0.73 ITGB3 (0.42) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL15325151 0.72 TLR4 (0.42) MEN1KMT2AALDH1A1LMNATLR4
SCHEMBL8623787 0.71 HRH3 (0.42) HRH3MEN1KMT2AALDH1A1TDP1
SCHEMBL1544735 0.71 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TDP1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed