SCHEMBL9699343

SCHEMBL9699343

C[C@]1(C=O)CO[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.39
SOAT1 P35610 5/20 0.38
ALDH1A1 P00352 6/20 0.34
LMNA P02545 3/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 2/20 0.34
PDE6D O43924 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL9737457 0.88 SOAT1 (0.48) CFTRSOAT1ALDH1A1LMNARECQL
SCHEMBL9697997 0.83 SOAT1 (0.43) CFTRSOAT1ALDH1A1PDE6DALDH2
SCHEMBL9700146 0.83 SOAT1 (0.43) CFTRSOAT1ALDH1A1PDE6DALDH2
SCHEMBL9700121 0.83 SOAT1 (0.43) CFTRSOAT1ALDH1A1PDE6DALDH2
SCHEMBL9700192 0.83 SOAT1 (0.43) CFTRSOAT1ALDH1A1PDE6DALDH2
SCHEMBL9697807 0.83 SOAT1 (0.43) CFTRSOAT1ALDH1A1PDE6DALDH2
SCHEMBL9700095 0.83 SOAT1 (0.43) CFTRSOAT1ALDH1A1PDE6DALDH2
SCHEMBL9698755 0.83 SOAT1 (0.43) CFTRSOAT1ALDH1A1PDE6DALDH2
SCHEMBL9737635 0.83 SOAT1 (0.38) CFTRSOAT1ALDH1A1PDE6DALDH2
SCHEMBL9737622 0.83 SOAT1 (0.37) CFTRSOAT1ALDH1A1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992017470-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-10-15 WO disclosed
EP-0506437-A1 Imidazoles RHONE POULENC RORER LIMITED (GB) 1992-09-30 EP disclosed