SCHEMBL13283403

SCHEMBL13283403

C=C/C(N)=C/C=C\C(=C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.38
▸ BLM P54132 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ F12 P00748 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ MAOA P21397 2/20 0.32

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
SCHEMBL22060587 0.77 AKT1 (0.43) AKT1BLMRECQLPOLBMAPT
SCHEMBL18522308 0.77 AKT1 (0.41) AKT1BLMRECQLPOLBMAPT
SCHEMBL2553036 0.77 AKT1 (0.41) AKT1BLMRECQLPOLBMAPT
SCHEMBL11269634 0.77 AKT1 (0.41) AKT1BLMRECQLPOLBMAPT
SCHEMBL16407768 0.73 RECQL (0.38) AKT1BLMRECQLPOLBMAPT
SCHEMBL27886109 0.73 AKT1 (0.39) AKT1BLMRECQLPOLBMAPT
SCHEMBL26782059 0.73 RECQL (0.38) AKT1BLMRECQLPOLBMAPT
SCHEMBL7690754 0.73 AKT1 (0.48) AKT1BLMRECQLPOLBMAPT
SCHEMBL24848866 0.72 BLM (0.41) AKT1BLMRECQLPOLBMAPT
SCHEMBL14792478 0.72 RECQL (0.37) AKT1BLMRECQLPOLBMAPT

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-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 — — EP disclosed
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