SCHEMBL8837239

SCHEMBL8837239

C#Cc1ccc(C(=O)c2cccc(Oc3ccccc3N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
STS P08842 6/20 0.43
F10 P00742 1/20 0.42
RCE1 Q9Y256 1/20 0.41
PBRM1 Q86U86 1/20 0.40
SRD5A2 P31213 1/20 0.40
TNKS O95271 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
AKR1C3 P42330 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6161199 0.88 STS (0.46) GAAALDH1A1STSF10RCE1
SCHEMBL8837241 0.79 MAOB (0.41) GAAALDH1A1STSF10PBRM1
SCHEMBL27956989 0.79 STS (0.52) GAAALDH1A1STSF10PBRM1
SCHEMBL24168654 0.78 GAA (0.58) GAAALDH1A1F10RCE1FNTA
SCHEMBL27750619 0.77 AKR1C3 (0.67) GAAALDH1A1F10RCE1AKR1C3
SCHEMBL30926159 0.76 SRD5A2 (0.55) GAAALDH1A1STSRCE1SRD5A2
SCHEMBL10949549 0.76 SRD5A2 (0.55) GAAALDH1A1STSRCE1SRD5A2
SCHEMBL30926160 0.76 SRD5A2 (0.55) GAAALDH1A1STSRCE1SRD5A2
SCHEMBL8837162 0.75 SRD5A2 (0.47) GAAALDH1A1STSRCE1SRD5A2
Hydrochloric Acid SCHEMBL28179755 0.74 GAA (0.58) GAAALDH1A1F10RCE1TNKS

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-5599993-A USED FOR ENDCAPPING POLYIMIDES WITH EXCELLENT SOLVENT AND CHEMICAL RESISTANCE, HIGH STRENGTH AND MODULUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-04 US disclosed
US-5412066-A Adhesives THER UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-05-02 US disclosed