SCHEMBL4464909

SCHEMBL4464909

CC1=CC(CNc2cccc(F)c2)=CC(C)[CH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NOS1 P29475 1/20 0.40
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 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
SCHEMBL4459326 0.85 RAPGEF4 (0.31) RAPGEF4
SCHEMBL10055035 0.68 HPGD (0.67) HPGDMAPTMEN1KMT2ANOS1
SCHEMBL6229701 0.67 HPGD (0.65) HPGDMAPTMEN1KMT2ANOS1
SCHEMBL146544 0.66 MEN1 (0.50) HPGDMAPTMEN1KMT2ANOS1
SCHEMBL11015099 0.65 HPGD (0.63) HPGDMAPTMEN1KMT2ANOS1
SCHEMBL20219041 0.65 MAPT (0.48) HPGDMAPTMEN1KMT2ANOS1
Hydrochloric Acid SCHEMBL5728329 0.65 HPGD (0.49) HPGDMAPTMEN1KMT2ANOS1
SCHEMBL6235610 0.65 MAPT (0.50) HPGDMAPTMEN1KMT2ANOS1
Hydrochloric Acid SCHEMBL27774106 0.64 HPGD (0.61) HPGDMAPTMEN1KMT2ANOS1
SCHEMBL30093210 0.64 KMT2A (0.58) HPGDMAPTMEN1KMT2ANOS1

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-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 US disclosed