SCHEMBL436019

SCHEMBL436019

Cc1cc(N)c2cc(Cl)cc(C)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.53
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NCF1 P14598 1/20 0.42
MAPT P10636 3/20 0.40
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
RAD52 P43351 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GNG2 P59768 2/20 0.36
GNB1 P62873 2/20 0.36
MEN1 O00255 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL437497 0.85 NR4A2 (0.62) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL436731 0.81 KDM4E (0.56) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL439805 0.80 NR4A2 (0.47) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL442077 0.78 NR4A2 (0.45) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL438887 0.77 MCHR1 (0.44) KDM4EMAPTALDH1A1
SCHEMBL440270 0.74 NR4A2 (0.62) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL6588144 0.73 NR4A2 (0.60) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL438224 0.72 NR4A2 (0.69) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL17506375 0.70 MAPT (0.45) NR4A2KDM4ETDP1MAPTPOLB
SCHEMBL440491 0.70 NR4A2 (0.74) NR4A2NCF1POLBALDH1A1KMT2A

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