SCHEMBL8775873

SCHEMBL8775873

C=CCCC(c1ccccc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.52
CFTR P13569 2/20 0.50
GOPC Q9HD26 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
EPHX2 P34913 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KCNA5 P22460 4/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNN4 O15554 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8510683 0.84 HRH1 (0.50) SLC6A2SLC6A4SLC6A3EPHX2SMN1; SMN2
SCHEMBL8775911 0.83 TBXAS1 (0.56) TBXAS1CFTRGOPCSLC6A2SLC6A4
SCHEMBL20865014 0.80 CFTR (0.42) TBXAS1CFTRGOPCSLC6A2SLC6A4
SCHEMBL9717892 0.80 SMN1; SMN2 (0.47) TBXAS1CFTRGOPCSLC6A2SLC6A4
SCHEMBL9718025 0.80 CFTR (0.42) TBXAS1CFTRGOPCSLC6A2SLC6A4
SCHEMBL10444607 0.78 CYP2C19 (0.47) TBXAS1CFTRGOPCSLC6A2SLC6A4
SCHEMBL9377628 0.78 EPHX2 (0.48) TBXAS1CFTRGOPCSLC6A2SLC6A4
SCHEMBL23970158 0.77 TBXAS1 (0.56) TBXAS1CFTRGOPCSLC6A2SLC6A4
SCHEMBL8699682 0.77 TBXAS1 (0.60) TBXAS1CFTRGOPCSLC6A2SLC6A4
SCHEMBL8827578 0.77 CFTR (0.59) TBXAS1CFTRGOPCSLC6A2SLC6A4

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-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed