SCHEMBL14725111

SCHEMBL14725111

CCC(=O)Nc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.44
AAK1 Q2M2I8 1/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
KDR P35968 2/20 0.40
LMNA P02545 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40

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
SCHEMBL6087431 0.90 KDR (0.42) MAPTKDM4ERAB9APOLBNPSR1
SCHEMBL6087438 0.90 KDR (0.42) MAPTKDM4ERAB9APOLBNPSR1
SCHEMBL6086850 0.90 ALDH1A1 (0.43) MAPTKDM4ERAB9APOLBNPSR1
SCHEMBL14725074 0.90 ALDH1A1 (0.43) MAPTKDM4ERAB9APOLBNPSR1
SCHEMBL6087556 0.89 LRRK2 (0.51) MAPTKDM4ERAB9AAAK1KDR
SCHEMBL6087551 0.89 LRRK2 (0.51) MAPTKDM4ERAB9AAAK1KDR
SCHEMBL6086359 0.87 POLB (0.47) TSHRPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL6086361 0.87 POLB (0.47) TSHRPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL6087269 0.85 HPGD (0.49) MAPTKDM4ETSHRPOLBALDH1A1
SCHEMBL6087266 0.85 HPGD (0.49) MAPTKDM4ETSHRPOLBALDH1A1

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