SCHEMBL9092175

SCHEMBL9092175

O=C(NCCl)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.44
EPHX2 P34913 1/20 0.43
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.39
HSD11B1 P28845 1/20 0.37
MEN1 O00255 2/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL30576844 0.80 KMT2A (0.48) KMT2AHTTEPHX2POLB
SCHEMBL14282244 0.78 KMT2A (0.50) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL7804748 0.78 KMT2A (0.50) KMT2AHTTALDH1A1EPHX2POLB
SCHEMBL14941550 0.76 KMT2A (0.48) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL5522397 0.76 KMT2A (0.48) KMT2AHTTALDH1A1EPHX2POLB
SCHEMBL47336 0.76 KMT2A (0.48) KMT2AHTTALDH1A1EPHX2POLB
SCHEMBL965286 0.76 KMT2A (0.82) KMT2AHTTALDH1A1EPHX2POLB
SCHEMBL1446126 0.74 EPHX2 (0.50) KMT2AHTTALDH1A1EPHX2MAPT
SCHEMBL1446123 0.74 EPHX2 (0.50) KMT2AHTTALDH1A1EPHX2ATM
SCHEMBL17273858 0.74 KMT2A (0.78) KMT2AHTTALDH1A1MEN1NPC1

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
US-5506262-A ANTICHOLESTEROL AGENTS, FUNGICIDES, ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-04-09 US disclosed
WO-1992020336-A2 NOVEL CHOLESTEROL LOWERING COMPOUNDS MERCK & CO., INC. (US) 1992-11-26 WO disclosed
EP-0512865-A2 Novel cholesterol lowering compounds MERCK & CO. INC. (US) 1992-11-11 EP disclosed