SCHEMBL11606402

SCHEMBL11606402

CCCc1cn2ccccc2c1C(=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 8/20 0.41
HPGD P15428 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
EYA3 Q99504 2/20 0.41
PTPN1 P18031 1/20 0.41
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
HTT P42858 2/20 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
SCHEMBL11605874 0.81 GAA (0.40) CYP2C9KDM4EALDH1A1HPGDMEN1
SCHEMBL9599595 0.74 RAPGEF4 (0.38) CYP2C9KDM4EALDH1A1HPGDMEN1
SCHEMBL11608011 0.70 MAPT (0.51) CYP2C9KDM4EALDH1A1MEN1KMT2A
SCHEMBL28160835 0.69 KDM4E (0.54) CYP2C9KDM4EALDH1A1HPGDMEN1
SCHEMBL28160834 0.68 KDM4E (0.50) CYP2C9KDM4EALDH1A1HPGDMEN1
SCHEMBL4636268 0.68 ALDH1A1 (0.49) CYP2C9KDM4EALDH1A1HPGDMEN1
SCHEMBL28161538 0.68 KDM4E (0.46) CYP2C9KDM4EALDH1A1HPGDMEN1
SCHEMBL9599177 0.68 RAPGEF4 (0.41) CYP2C9KDM4EALDH1A1HPGDMEN1
SCHEMBL1288011 0.67 SRC (0.55) CYP2C9KDM4EALDH1A1HPGDMEN1
SCHEMBL20181600 0.67 MIF (0.43) CYP2C9ALDH1A1HPGDMEN1KMT2A

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-4103012-A CARDIOVASCULAR DISORDERS LABAZ (FR) 1978-07-25 US disclosed