SCHEMBL4749932

SCHEMBL4749932

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)n2cnc3ccccc32)CC1)n1cnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
APAF1 O14727 1/20 0.43
HTT P42858 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
USP5 P45974 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
FGFR1 P11362 1/20 0.39
HCAR3 P49019 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.37
USP2 O75604 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
SCHEMBL3083716 0.83 KMT2A (0.53) KMT2AMEN1HPGDHSD17B10APAF1
SCHEMBL4303680 0.76 HSD17B10 (0.47) HSD17B10APAF1HTTPOLB
SCHEMBL9674221 0.75 KMT2A (0.60) KMT2AMEN1HPGDHSD17B10APAF1
SCHEMBL18783299 0.73 FGFR1 (0.57) HPGDHTTFGFR1
SCHEMBL1147353 0.72 USP5 (0.66) KMT2AMEN1HPGDHSD17B10APAF1
SCHEMBL18258627 0.72 USP5 (0.66) KMT2AMEN1HPGDHSD17B10APAF1
SCHEMBL30874960 0.72 USP5 (0.66) KMT2AMEN1HPGDHSD17B10APAF1
SCHEMBL22234465 0.71 HSD17B10 (0.53) KMT2AMEN1HPGDHSD17B10APAF1
SCHEMBL4292120 0.71 OPRD1 (0.43) KMT2AMEN1POLBLMNATSHR
SCHEMBL14638103 0.71 MEN1 (0.64) KMT2AMEN1HPGDHSD17B10APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed