SCHEMBL6691639

SCHEMBL6691639

CCn1c2ccccc2c2nnc(-n3nc(C)c(Cc4ccc(C(F)(F)F)cc4)c3C)nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
TSHR P16473 5/20 0.67
POLB P06746 4/20 0.67
LMNA P02545 3/20 0.67
MAPK1 P28482 3/20 0.67
KMT2A Q03164 2/20 0.67
ALOX15 P16050 2/20 0.67
MEN1 O00255 1/20 0.67
XBP1 P17861 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MAPT P10636 8/20 0.53
HTT P42858 1/20 0.53
HIF1A Q16665 1/20 0.53
TP53 P04637 4/20 0.44
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 3/20 0.40
NPC1 O15118 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL6696528 0.90 ALDH1A1 (0.64) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6691514 0.90 ALDH1A1 (0.71) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6689688 0.90 ALDH1A1 (0.76) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6695812 0.89 MAPT (0.65) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6691578 0.86 ALDH1A1 (0.68) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6694852 0.85 ALDH1A1 (0.67) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6688823 0.85 ALDH1A1 (0.69) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6691467 0.84 ALDH1A1 (0.65) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6692622 0.84 ALDH1A1 (0.67) ALDH1A1TSHRPOLBLMNAMAPK1
SCHEMBL6689207 0.83 ALDH1A1 (0.69) ALDH1A1TSHRPOLBLMNAMAPK1

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-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO disclosed