SCHEMBL6599697

SCHEMBL6599697

Cc1ncn(CCCOCc2ccccc2)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TEAD3 Q99594 2/20 0.39
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
AGER Q15109 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6599808 0.87 MEN1 (0.40) MEN1KMT2ATEAD3CYP1A2CYP2D6
SCHEMBL6597615 0.74 CYP11B1 (0.47) MEN1KMT2ATEAD3GBA1UGCG
SCHEMBL6599567 0.72 CYP1A2 (0.34) MEN1KMT2ATEAD3CYP1A2CYP2D6
SCHEMBL23115952 0.70 MEN1 (0.48) ATP4AATP4BMEN1KMT2ATEAD3
SCHEMBL6597617 0.68 MEN1 (0.41) MEN1KMT2ATEAD3GBA1UGCG
SCHEMBL15284036 0.68 MEN1 (0.49) MEN1KMT2ATEAD3GBA1UGCG
SCHEMBL345616 0.67 TSHR (0.58) TEAD3GBA1UGCGGBA2L3MBTL1
SCHEMBL7479206 0.67 HRH3 (0.44) ATP4AATP4BL3MBTL1TDP1LMNA
SCHEMBL8621469 0.66 TSHR (0.70) TEAD3L3MBTL1TDP1HRH4HRH3
SCHEMBL2640223 0.66 TSHR (0.70) GBA1UGCGGBA2L3MBTL1TDP1

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-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed