SCHEMBL6941444

SCHEMBL6941444

NC(=O)c1cn(C[C@@H](O)CCCn2ncc3ccccc32)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
ADA P00813 6/20 0.37
P2RX7 Q99572 1/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DAO P14920 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
RECQL P46063 2/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6935843 0.83 KMO (0.40) KMOADAP2RX7LMNAGAA
SCHEMBL6938261 0.82 LMNA (0.45) ADALMNA
SCHEMBL6942807 0.76 L3MBTL1 (0.44) CYP1A2SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL6170042 0.76 ADA (0.54) ADAMEN1
SCHEMBL6941436 0.76 ADA (0.60) KMOADA
SCHEMBL5673950 0.76 ADA (0.45) ADALMNAPOLB
SCHEMBL6171815 0.75 ADA (0.46) ADACYP1A2POLB
SCHEMBL6133548 0.75 ADA (0.61) ADANPC1RAB9APOLB
SCHEMBL6168401 0.75 ADA (0.59) ADALMNAMEN1KMT2A
SCHEMBL6173074 0.75 ADA (0.53) ADA

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
US-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed