SCHEMBL9737274

SCHEMBL9737274

OC/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.43
ALDH1A1 P00352 10/20 0.41
KDM4E B2RXH2 6/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 2/20 0.41
PDE6D O43924 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 3/20 0.37
FAAH O00519 1/20 0.36
TP53 P04637 3/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL9737277 1.00 CFTR (0.43) CFTRALDH1A1KDM4ELMNAHPGD
SCHEMBL9736666 0.81 CFTR (0.46) CFTRALDH1A1KDM4ELMNAHPGD
SCHEMBL9698004 0.80 CFTR (0.50) CFTRALDH1A1KDM4ELMNAHPGD
SCHEMBL9737748 0.77 ALDH1A1 (0.41) CFTRALDH1A1KDM4ELMNAHPGD
SCHEMBL9737058 0.76 F11 (0.37) ALDH1A1KDM4EHPGDFAAHHSD17B10
SCHEMBL9737053 0.76 F11 (0.37) ALDH1A1KDM4EHPGDFAAHHSD17B10
SCHEMBL18152788 0.73 ALDH1A1 (0.61) CFTRALDH1A1KDM4ELMNAHPGD
SCHEMBL18152817 0.72 TNF (0.57) CFTRALDH1A1KDM4ELMNAHPGD
SCHEMBL28111190 0.72 CFTR (0.50) CFTRALDH1A1KDM4ELMNAHPGD
SCHEMBL1927930 0.70 CFTR (0.48) CFTRALDH1A1KDM4ELMNAHPGD

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