SCHEMBL439824

SCHEMBL439824

Cc1cc(N)c2cccc(Br)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.65
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
NCF1 P14598 1/20 0.53
MAPT P10636 5/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HRH4 Q9H3N8 1/20 0.42
BACE1 P56817 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CD38 P28907 1/20 0.40
PSMD14 O00487 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2284354 0.81 KDM4E (0.62) NR4A2KDM4ETDP1MAPTGAA
SCHEMBL438224 0.81 NR4A2 (0.69) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL317207 0.79 MAPT (0.60) NR4A2KDM4ETDP1MAPTGAA
SCHEMBL439735 0.79 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL5249809 0.79 MAPT (0.57) NR4A2KDM4ETDP1MAPTGAA
SCHEMBL438193 0.79 NR4A2 (0.51) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL11626595 0.79 KDM4E (0.69) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL438980 0.79 NR4A2 (1.00) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL5243405 0.79 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL442131 0.76 NR4A2 (0.45) 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 3 patents. 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
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed