SCHEMBL5822504

SCHEMBL5822504

CCCc1ccc(Nc2ncc3c(C(=O)NCc4cccnc4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
RET P07949 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.42
PDE10A Q9Y233 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CNR2 P34972 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL3823130 0.90 TRPV1 (0.50) TRPV1RETALDH1A1KDM4EUSP2
SCHEMBL5818418 0.88 NAMPT (0.45) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL27714954 0.87 KMT2A (0.47) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL4393164 0.83 KMT2A (0.49) TRPV1ALDH1A1HPGDUSP2MAPK1
SCHEMBL5822372 0.83 RET (0.47) RET
SCHEMBL3821662 0.81 KMT2A (0.58) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL3812216 0.79 LMNA (0.50) ALDH1A1HPGDUSP2MAPK1POLB
SCHEMBL3818707 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL3820495 0.77 KMT2A (0.56) TRPV1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL3823614 0.77 KMT2A (0.45) ALDH1A1KDM4EHPGDHSD17B10POLB

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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed