SCHEMBL10401416

SCHEMBL10401416

NCCN(C(N)=O)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.47
SIGMAR1 Q99720 5/20 0.47
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
PTPN1 P18031 1/20 0.37
HTR1B P28222 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
Hydrochloric Acid SCHEMBL3722949 0.83 MMP9 (0.50) MMP9SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL27515197 0.82 SIGMAR1 (0.62) MMP9SIGMAR1KDM4EGAAALDH1A1
SCHEMBL10822129 0.81 SIGMAR1 (0.47) MMP9SIGMAR1KDM4EGAAALDH1A1
SCHEMBL9547586 0.79 L3MBTL1 (0.48) MMP9SIGMAR1KDM4EALDH1A1TSHR
SCHEMBL28003967 0.78 ALDH1A1 (0.48) MMP9SIGMAR1KDM4EGAAALDH1A1
SCHEMBL3216842 0.77 MMP9 (0.47) MMP9SIGMAR1KDM4EGAAALDH1A1
SCHEMBL6685262 0.75 SIGMAR1 (0.48) MMP9SIGMAR1KDM4EGAAALDH1A1
SCHEMBL2898503 0.75 SIGMAR1 (0.44) MMP9SIGMAR1KDM4EGAAALDH1A1
SCHEMBL9547530 0.75 SIGMAR1 (0.51) MMP9SIGMAR1KDM4EGAAALDH1A1
SCHEMBL27888752 0.75 MMP9 (0.39) MMP9SIGMAR1KDM4EGAAALDH1A1

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-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed