SCHEMBL436718

SCHEMBL436718

CCc1cccc2c(N)cc(C)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.61
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
NCF1 P14598 1/20 0.50
CD38 P28907 7/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TLR8 Q9NR97 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
PSMD14 O00487 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11640173 0.80 KDM4E (0.65) NR4A2KDM4ETDP1NCF1CD38
SCHEMBL438224 0.79 NR4A2 (0.69) NR4A2KDM4ETDP1NCF1ELANE
SCHEMBL6588609 0.76 KDM4E (0.48) KDM4ECD38ALDH1A1HSD17B10CYP3A4
SCHEMBL439824 0.76 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1CD38
SCHEMBL5243405 0.76 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL438980 0.76 NR4A2 (1.00) NR4A2KDM4ETDP1NCF1CD38
SCHEMBL439735 0.76 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1CD38
SCHEMBL20680339 0.74 CD38 (0.59) NR4A2CD38CYP3A4
SCHEMBL437287 0.73 NR4A2 (0.61) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL11545600 0.72 TP53 (0.51) KDM4ETDP1CD38ELANEALDH1A1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed