SCHEMBL440270

SCHEMBL440270

Cc1cc(Cl)c2nc(C)cc(N)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.62
NCF1 P14598 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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) NR4A2NCF1KDM4ETDP1MAPT
SCHEMBL436731 0.81 KDM4E (0.56) NR4A2NCF1NOS3NOS1NOS2
SCHEMBL442131 0.78 NR4A2 (0.45) NR4A2NCF1NOS3NOS1NOS2
SCHEMBL438834 0.77 NOS2 (0.50) NR4A2NOS3NOS1NOS2KDM4E
SCHEMBL438980 0.76 NR4A2 (1.00) NR4A2NCF1KDM4ETDP1MAPT
SCHEMBL436019 0.74 NR4A2 (0.53) NR4A2NCF1LMNAKDM4ETDP1
SCHEMBL439768 0.73 NR4A2 (0.65) NR4A2NCF1LMNAKDM4ETDP1
SCHEMBL10008628 0.73 NR4A2 (0.56) NR4A2NCF1NOS3NOS1NOS2
SCHEMBL439579 0.73 NR4A2 (0.65) NR4A2NCF1LMNAKDM4ETDP1
SCHEMBL438758 0.70 EGFR (0.49) NR4A2NCF1NOS3NOS1NOS2

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