SCHEMBL44277

SCHEMBL44277

CCN(CC)C(=O)Cc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
KCNH2 Q12809 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
SCHEMBL44304 0.87 KCNH2 (0.43) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL44623 0.86 FFAR1 (0.42) MEN1KMT2AALDH1A1TSHR
SCHEMBL44472 0.85 HTT (0.40) KMT2ATSHRTP53
SCHEMBL45433 0.85 GLA (0.37) KMT2AALDH1A1
SCHEMBL44282 0.84 PPARA (0.41) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL44594 0.83 HTR1A (0.39) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL44314 0.82 HDAC4 (0.42) ALDH1A1LMNAHPGDTP53
SCHEMBL44365 0.82 NOTUM (0.50) MEN1KMT2AALDH1A1TSHR
SCHEMBL44040 0.81 SMN1; SMN2 (0.39) KMT2AALDH1A1LMNATSHRATM
Alcohol SCHEMBL43983 0.81 NOTUM (0.38) MEN1KMT2AALDH1A1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed