SCHEMBL6437439

SCHEMBL6437439

COc1ccc(CN(C(=O)CCl)c2cccc(O)c2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MITF O75030 1/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RNF4 P78317 1/20 0.46
PAX8 Q06710 3/20 0.44
JAK2 O60674 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BCL2A1 Q16548 1/20 0.41
POLB P06746 3/20 0.41

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
SCHEMBL21246777 0.78 TSPO (0.49) RAB9ANPC1MITFKMT2AALDH1A1
SCHEMBL15670616 0.78 KMT2A (0.49) RAB9ANPC1MITFKMT2AALDH1A1
SCHEMBL13035846 0.74 POLB (0.50) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL23144578 0.73 MEN1 (0.47) RAB9ANPC1MITFKMT2AALDH1A1
SCHEMBL3625774 0.72 TSPO (0.43) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL11033445 0.72 MTNR1A (0.53) RAB9ANPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL10903904 0.72 ALDH1A1 (0.44) KMT2AALDH1A1MEN1HTTSMN1; SMN2
SCHEMBL15366455 0.71 ALDH1A1 (0.47) MITFKMT2AALDH1A1MEN1HTT
SCHEMBL31186740 0.71 ALDH1A1 (0.55) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL9133855 0.70 MTNR1A (0.51) RAB9ANPC1ALDH1A1HTTRNF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090011-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6410534-B1 ANTICANCER AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
EP-1090011-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001701-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed