SCHEMBL6599808

SCHEMBL6599808

Cc1ncn(CCCOCc2ccccc2)c1CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
TEAD3 Q99594 1/20 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
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTT P42858 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
SCHEMBL6599697 0.87 ATP4A (0.42) MEN1KMT2AL3MBTL1TEAD3TDP1
SCHEMBL6597552 0.84 TDP1 (0.41) TDP1LMNATP53MAPTRAB9A
Hydrochloric Acid SCHEMBL11295371 0.76 CYP11B1 (0.47) LMNASMN1; SMN2HTTTSHR
Hydrochloric Acid SCHEMBL6599813 0.73 CYP11B1 (0.43) MEN1KMT2AL3MBTL1TEAD3TDP1
SCHEMBL6599567 0.72 CYP1A2 (0.34) MEN1KMT2AL3MBTL1TEAD3TDP1
SCHEMBL1001167 0.70 TSHR (0.58) L3MBTL1TEAD3TDP1LMNACYP1A2
SCHEMBL8998380 0.69 TSHR (0.56) L3MBTL1TEAD3TDP1HRH4HRH3
SCHEMBL3488296 0.69 TSHR (0.56) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL7586172 0.68 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1TEAD3TDP1
Hydrochloric Acid SCHEMBL3460642 0.68 ADORA2A (0.37) LMNASMN1; SMN2

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 5 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
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 EP disclosed
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 EP disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 WO disclosed