SCHEMBL9736666

SCHEMBL9736666

O=CC=Cc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.46
ALDH1A1 P00352 10/20 0.41
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
PDE6D O43924 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 5/20 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
SCHEMBL9698004 0.86 CFTR (0.50) CFTRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9737274 0.81 CFTR (0.43) CFTRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9737277 0.81 CFTR (0.43) CFTRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9737748 0.77 ALDH1A1 (0.41) CFTRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9736574 0.76 F11 (0.37) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL9736572 0.76 F11 (0.37) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL18152788 0.73 ALDH1A1 (0.61) CFTRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL28111190 0.72 CFTR (0.50) CFTRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL18152817 0.72 TNF (0.57) CFTRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL18152842 0.69 CFTR (0.47) CFTRALDH1A1LMNASMN1; SMN2KDM4E

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