SCHEMBL8716872

SCHEMBL8716872

O=C(CNc1ccccc1Cl)NN1c2ccccc2CCCC1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
LMNA P02545 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MTNR1A P48039 2/20 0.36

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
SCHEMBL8717614 0.83 KMT2A (0.41) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL8713941 0.82 POLB (0.41) POLBLMNAALDH1A1HPGD
SCHEMBL8715140 0.81 HDAC3 (0.38) POLBLMNAALDH1A1KDM4EHDAC3
SCHEMBL8718454 0.78 ALDH1A1 (0.48) LMNAALDH1A1MAPTTSHRL3MBTL1
SCHEMBL8715310 0.78 ALDH1A1 (0.46) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL8716877 0.77 POLB (0.45) POLBLMNATAS1R3TAS1R1ALDH1A1
SCHEMBL8718492 0.75 MAPT (0.42) LMNAALDH1A1MAPTKDM4EHDAC3
SCHEMBL8717599 0.74 MTNR1A (0.35) POLBALDH1A1MAPTKDM4EHDAC3
SCHEMBL8714612 0.74 ALDH1A1 (0.51) POLBLMNAALDH1A1MAPTKDM4E
SCHEMBL8713402 0.72 ALDH1A1 (0.36) POLBALDH1A1MAPTKDM4EHDAC3

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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed