SCHEMBL7474823

SCHEMBL7474823

Cc1nc(CCCOCc2ccccc2)[nH]c1CCl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SOAT1 P35610 1/20 0.38
HCAR2 Q8TDS4 2/20 0.36
TSHR P16473 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7479206 0.87 HRH3 (0.44) HRH4HRH3ALDH1A1L3MBTL1TDP1
SCHEMBL15555557 0.76 ALDH1A1 (0.49) HRH4HRH3ALDH1A1L3MBTL1TDP1
SCHEMBL20470604 0.75 ALDH1A1 (0.51) HRH4HRH3ALDH1A1L3MBTL1TDP1
SCHEMBL6962088 0.73 HRH4 (0.43) HRH4HRH3ALDH1A1L3MBTL1TDP1
SCHEMBL14974505 0.72 HRH4 (0.44) HRH4HRH3L3MBTL1TDP1HCAR2
SCHEMBL6703361 0.70 PARP1 (0.43) TSHRTP53POLB
SCHEMBL1001167 0.70 TSHR (0.58) HRH4HRH3ALDH1A1L3MBTL1TDP1
SCHEMBL8186168 0.69 L3MBTL1 (0.50) HRH4HRH3ALDH1A1L3MBTL1TDP1
SCHEMBL8998380 0.69 TSHR (0.56) HRH4HRH3ALDH1A1L3MBTL1TDP1
SCHEMBL3488296 0.69 TSHR (0.56) HRH4HRH3L3MBTL1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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