SCHEMBL14715812

SCHEMBL14715812

O=C1Nc2ccccc2C1=C1OCc2cc(NCCCCl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CHEK1 O14757 1/20 0.35
FLT3 P36888 1/20 0.35
MAPT P10636 2/20 0.34
MAOA P21397 1/20 0.34
ALK Q9UM73 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
MAPK14 Q16539 1/20 0.32
PGR P06401 5/20 0.32
NR3C1 P04150 4/20 0.32
NR3C2 P08235 3/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TOP1 P11387 2/20 0.31

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
SCHEMBL6087742 0.94 NTRK1 (0.40) NTRK1CCNA2CDK2CCNA1MAPT
SCHEMBL6087746 0.94 NTRK1 (0.40) NTRK1CCNA2CDK2CCNA1MAPT
SCHEMBL6086859 0.88 NTRK1 (0.42) NTRK1CCNA2CDK2CCNA1MAPT
SCHEMBL6086865 0.88 NTRK1 (0.42) NTRK1CCNA2CDK2CCNA1MAPT
SCHEMBL6089592 0.85 NTRK1 (0.41) NTRK1CCNA2CDK2CCNA1MAPT
SCHEMBL6089596 0.85 NTRK1 (0.41) NTRK1CCNA2CDK2CCNA1MAPT
SCHEMBL6086558 0.83 PIM1 (0.38) NTRK1CCNA2CDK2CCNA1MAPT
SCHEMBL6086555 0.83 PIM1 (0.38) NTRK1CCNA2CDK2CCNA1MAPT
SCHEMBL6087838 0.82 IMPDH2 (0.35) KDM4EALDH1A1PKMMAPK14PGR
SCHEMBL6087844 0.82 IMPDH2 (0.35) KDM4EALDH1A1PKMMAPK14PGR

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
EP-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP disclosed