SCHEMBL3800611

SCHEMBL3800611

C=CC(O)c1cccc(O)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
TDP1 Q9NUW8 3/20 0.33
HIF1A Q16665 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
TSHR P16473 3/20 0.32
ALOX15 P16050 2/20 0.32
ERN1 O75460 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
LMNA P02545 3/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ADAMTS4 O75173 1/20 0.31
EGFR P00533 1/20 0.31
FYN P06241 1/20 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
SCHEMBL11789192 0.80 LMNA (0.44) GABRA1GABRB2TDP1HIF1AKDM4E
SCHEMBL387118 0.79 GABRA1 (0.48) GABRA1GABRB2TDP1HIF1AKDM4E
SCHEMBL11405118 0.77 GABRA1 (0.46) GABRA1GABRB2TDP1HIF1ATSHR
SCHEMBL8165911 0.77 POLB (0.34) GABRA1GABRB2TDP1HIF1ATSHR
SCHEMBL27764282 0.75 G6PD (0.49) G6PDCASP7CASP6TDP1KDM4E
SCHEMBL7594286 0.74 ALDH1A1 (0.39) GABRA1GABRB2TSHRALOX15ALDH1A1
SCHEMBL10624727 0.74 GABRA1 (0.46) G6PDCASP7CASP6GABRA1GABRB2
SCHEMBL646259 0.74 CYP3A4 (0.38) CASP7TDP1HIF1AKDM4ETSHR
SCHEMBL5368315 0.73 ALDH1A1 (0.30) TDP1TSHRHPGDALDH1A1HSD17B10
SCHEMBL4163307 0.73 KDM4E (0.33) GABRA1GABRB2KDM4EALDH1A1MEN1

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
JP-5324298-B2 2013-10-23 JP disclosed
JP-2010248122-A METHODS FOR PREPARING CARBAMATE DERIVATIVE AND HYDROXYALKYL AMINOPHENOL DERIVATIVE SHOWA KAGAKU KOGYO CO LTD 2010-11-04 JP disclosed