SCHEMBL9738124

SCHEMBL9738124

O[C@H](CCCCCl)c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
ALDH1A1 P00352 6/20 0.39
PDE6D O43924 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
FAAH O00519 4/20 0.38
TP53 P04637 3/20 0.37
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
PTBP1 P26599 1/20 0.37
KDM4E B2RXH2 4/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9738120 1.00 CFTR (0.41) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL18152842 0.78 CFTR (0.47) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9737752 0.75 FAAH (0.43) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9700195 0.75 CFTR (0.44) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL18152788 0.71 ALDH1A1 (0.61) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL28111190 0.70 CFTR (0.50) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL18152817 0.70 TNF (0.57) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL1927930 0.68 CFTR (0.48) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9698004 0.67 CFTR (0.50) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9700090 0.66 SOAT1 (0.51) CFTR

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
WO-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 WO disclosed