SCHEMBL8211

SCHEMBL8211

O=c1c(-c2ccccc2)coc2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.56
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 7/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 6/20 0.56
POLB P06746 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PTPN1 P18031 3/20 0.55
HPGD P15428 5/20 0.54
HSD17B10 Q99714 4/20 0.54
GAA P10253 2/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
PPARA Q07869 1/20 0.54
MAPT P10636 7/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TP53 P04637 4/20 0.52
CYP3A4 P08684 4/20 0.52
HTT P42858 2/20 0.51

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
SCHEMBL30586191 0.89 PTPN1 (0.54) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL29651755 0.89 PTPN1 (0.54) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11616373 0.87 NPC1 (0.52) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL18312062 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31327833 0.83 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL23278859 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31135529 0.81 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14994916 0.81 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL30620502 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31135531 0.81 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed