SCHEMBL21048723

SCHEMBL21048723

O=Cc1cccc2cccc(Nc3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.54
TTR P02766 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
MAPK14 Q16539 1/20 0.54
NR4A1 P22736 1/20 0.53
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 2/20 0.50
FABP1 P07148 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 9/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
TDP1 Q9NUW8 4/20 0.46

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
SCHEMBL30463062 0.81 KMT2A (0.50) FABP4ALDH1A1HSD17B10ALOX15TP53
SCHEMBL96065 0.81 KMT2A (0.50) FABP4ALDH1A1HSD17B10ALOX15TP53
SCHEMBL20518486 0.79 MEN1 (0.48) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL981676 0.74 LMNA (0.55) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL28685037 0.74 HSD17B10 (0.46) FABP4ALDH1A1HSD17B10ALOX15TP53
SCHEMBL22251520 0.73 ALDH1A1 (0.55) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL29458820 0.73 ALDH1A1 (0.71) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL8486840 0.73 MAPT (0.64) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL26538152 0.73 ALDH1A1 (0.71) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL4944634 0.72 THRB (0.52) ALDH1A1HSD17B10CYP3A4HPGDTSHR

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
EP-2611466-B1 SHEAR CONTROLLED RELEASE OF THROMBOLYTIC THERAPIES FOR STENOTIC LESIONS HARVARD COLLEGE (US) 2019-06-12 EP claimed