SCHEMBL27600222

SCHEMBL27600222

CSN1c2c(c(=O)[nH]c(=O)n2C)N(CCc2ccccc2)C1N1CCCC(N)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 2/20 0.39
DPP4 P27487 8/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GFER P55789 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
NR3C1 P04150 1/20 0.33
RAB9A P51151 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
SCHEMBL5335575 0.68 DPP4 (0.45) TSHRALDH1A1DPP4HSD17B10HPGD
SCHEMBL20528287 0.68 DPP4 (0.51) DPP4
SCHEMBL15533388 0.68 DPP4 (0.47) DPP4
SCHEMBL160189 0.67 DPP4 (0.53) DPP4KCNH2
SCHEMBL15516850 0.67 DPP4 (0.53) DPP4KCNH2
SCHEMBL7533607 0.66 DPP4 (0.36) DPP4KCNH2
SCHEMBL15533861 0.64 DPP4 (0.43) DPP4KCNH2
SCHEMBL9392201 0.62 DAO (0.49) TSHRALDH1A1POLBTDP1LMNA
SCHEMBL27583093 0.62 DPP4 (0.59) TSHRALDH1A1ALOX15DPP4LMNA
SCHEMBL25285380 0.62 SLC6A3 (0.61) KCNH2

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
CN-1492870-A Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-28 CN disclosed