SCHEMBL13409394

SCHEMBL13409394

CCOc1cc(C(C)C)c2cccc(Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.42
LMNA P02545 1/20 0.41
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 2/20 0.36
MAPK14 Q16539 2/20 0.36
DYRK1A Q13627 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HTR3A P46098 1/20 0.35
HTR6 P50406 1/20 0.35
HTR4 Q13639 1/20 0.35

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
SCHEMBL13409388 0.84 L3MBTL1 (0.45) LMNAL3MBTL1ALDH1A1PARP1HTR1A
SCHEMBL13409393 0.83 MAPT (0.38) LMNAL3MBTL1ALDH1A1MAPK8NPC1
SCHEMBL13409387 0.83 LMNA (0.35) LMNAALDH1A1HTR1AHTR2CHTR7
SCHEMBL8273087 0.82 NR4A2 (0.45) NR4A2LMNACDK1CCNB1L3MBTL1
SCHEMBL13763738 0.82 ALDH1A1 (0.43) NR4A2LMNACDK1CCNB1L3MBTL1
SCHEMBL13385166 0.82 NR4A2 (0.42) NR4A2L3MBTL1NR1H4ALDH1A1POLB
SCHEMBL13409396 0.82 KDM4E (0.43) LMNAL3MBTL1ALDH1A1POLBHTR1A
SCHEMBL1021189 0.81 NR4A2 (0.41) NR4A2LMNACDK1CCNB1L3MBTL1
SCHEMBL13409386 0.81 POLB (0.36) LMNAL3MBTL1ALDH1A1POLBMAPK8
SCHEMBL8131306 0.80 CRHR1 (0.43) NR4A2LMNAL3MBTL1ALDH1A1POLB

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
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed