SCHEMBL5489717

SCHEMBL5489717

Cn1ccnc1-c1c2ccccc2cc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
HTR2A P28223 1/20 0.51
BRD4 O60885 1/20 0.50
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP2A6 P11509 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
ALOX15 P16050 1/20 0.38
TNNI3 P19429 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5488396 0.81 HTR2C (0.60) HTR2CHTR2ABRD4HSD17B10CASP1
SCHEMBL11361629 0.80 HTR2C (0.49) HTR2CHTR2ABRD4HSD17B10CASP1
SCHEMBL28781053 0.79 KMT2A (0.48) HTR2CHTR2ABRD4NISCHCYP2A6
SCHEMBL26813861 0.77 HTR2C (0.42) HTR2CHTR2ABRD4HSD17B10CASP1
SCHEMBL5486071 0.76 HTR2C (0.66) HTR2CHTR2ABRD4HSD17B10CASP1
SCHEMBL5509675 0.75 HTR2C (0.50) HTR2CHTR2ABRD4HSD17B10CASP1
SCHEMBL5914875 0.74 HTR2C (0.44) HTR2CHTR2ABRD4KDM4EL3MBTL1
SCHEMBL11370124 0.72 HTR2C (0.43) HTR2CHTR2ABRD4HSD17B10CASP1
SCHEMBL11370464 0.72 HTR2C (0.43) HTR2CHTR2ABRD4HSD17B10CASP1
SCHEMBL11378443 0.72 HTR2C (0.43) HTR2CHTR2ABRD4HSD17B10CASP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291404-B2 Organic light emitting devices LG.PHILIPS LCD CO., LTD. (KR) 2007-11-06 US claimed
US-7291404-B2 Organic light emitting devices LG.PHILIPS LCD CO., LTD. (KR) 2007-11-06 US disclosed