SCHEMBL437233

SCHEMBL437233

Cc1cc(N)c2c(Cl)ccc(C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 2/20 0.38
NCF1 P14598 1/20 0.37
MAPT P10636 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
PSMD14 O00487 1/20 0.36
MITF O75030 1/20 0.36
APEX1 P27695 1/20 0.36
RAD52 P43351 1/20 0.36
RAB9A P51151 1/20 0.36
CD44 P16070 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL439448 0.89 NR4A2 (0.59) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL442246 0.85 KDM4E (0.47) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL9730943 0.83 MAPT (0.47) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL441437 0.80 MAPT (0.57) NR4A2CYP3A4MAPTALDH1A1RAB9A
SCHEMBL11637772 0.79 KDM4E (0.50) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL439849 0.78 POLB (0.43) KDM4ECYP3A4MAPTHTTLMNA
SCHEMBL11546436 0.76 KDM4E (0.50) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL11543194 0.75 NR4A2 (0.51) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL438207 0.73 MAPT (0.53) NR4A2CYP3A4MAPTALDH1A1RAB9A
SCHEMBL439579 0.71 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT

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